VirtualToxLab™ 5.8
Estimating the toxic potential of drugs, chemicals and natural products

The VirtualToxLab is an in silico tool for predicting the toxic potential (endocrine and metabolic disruption, some aspects of carcinogenicity and cardiotoxicity) of drugs, chemicals and natural products. The toxic potential (ToxPot) is derived from the binding affinities (computed by means of 4D Boltzmann scoring of all binding modes identified through automated, flexible docking to the 3D structure of the target protein) towards a series of 16 proteins known to trigger adverse effects and weighted using the standard deviations of the individual predictions. The ToxPot is based solely on thermodynamic considerations and does not include any ADME (adsorption, distribution, metabolism, elimination) aspects. The ToxPot is calculated through a non-linear function, ranges from 0.0 (none) to 1.0 (extreme) and may be interpreted as a toxicity alert. A ToxPot < 0.1 indicates that the compound is unlikely to bind to any of the 16 target proteins. This may be due to its size (e.g. MW > 500) or inability to appropriately stabilize its hydrogen-bond functionalities and/or hydrophobic portions. Compounds associated with a ToxPot > 0.6 may trigger severe adverse effects or even toxic responses if they are bioavailable and metabolically stable.

Toxic potential class Symbol Toxic potential range Possible interpretation1 with respect to binding towards one of the five tested protein classes.2 Note3
n/a   ToxPot ≤ 0.300
0.300 < ToxPot ≤ 0.400
unlikely to show any adverse effect (triggered by the 16 target proteins tested in the VirtualToxLab)
compound may bind weakly to a single target class
0 ~ 0.400 < ToxPot ≤ 0.500 compound may bind modestly to a single target class or weakly to several target classes
I * 0.500 < ToxPot ≤ 0.600 compound binds moderately to one target class (e.g. hERG) or modestly to several classes
II ** 0.600 < ToxPot ≤ 0.700 compound binds strongly to one target class (e.g. hERG) or moderately to several classes
III *** 0.700 < ToxPot ≤ 0.800 compound binds strongly to two target classes (e.g. nuclear receptor classes I, II)
IV **** ToxPot > 0.800 compound binds strongly to three target classes (e.g. nuclear receptor classes I, II and cytochrome P450 enzymes)
1 Please note that a compound with a ToxPot < 0.5 may still trigger adverse effects, particularly upon continued exposure
2 Protein classes: nuclear receptor class I (AR, ERα, ERβ, GR, MR, PR), nuclear receptor class II (LXR, PPARγ, TRα TRβ), cytochromes (1A2, 2C9, 2D6, 3A4), hERG, and AhR
3 A more accurate assessment is possible by analyzing the individual binding affinities towards the 16 target proteins (using the VirtualToxLab interface).
The identification of a compound's potential off-targets should always include interactive inspection of the binding modes in real-time 3D. Selected examples are shown → here

Binding of Bisphenol A to the estrogen receptor β (calculated affinity = 120 nM, experimental affinity = 93 nM). Click on image to enlarge it.

Target proteins: Androgen receptor (AR), Aryl hydrocarbon receptor (AhR), Cytochrome P450 1A2 (CYP1A2), Cytochrome P450 2C9 (CYP2C9), Cytochrome P450 2D6 (CYP2D6), Cytochrome P450 3A4 (CYP3A4), Estrogen receptor α (ERα), Estrogen receptor β (ERβ), Glucocorticoid receptor (GR), hERG, Liver X receptor (LXR), Mineralocorticoid receptor (MR), Peroxisome Proliferator-Activated receptor γ (PPARγ), Progesterone receptor (PR), Thyroid receptor α (TRα), Thyroid receptor β (TRβ). Except for AhR and hERG (for which homology models are employed), all simulations are based on high-resolution crystal structures from the PDB.

1. Environmental chemicals
2. Food additives and colorants
3. Antibiotics
4. Psychotropic drugs
5. Blockbusters
6. Withdrawn drugs
7. Designer drugs
8. Various drugs
9. Vitamins
10. Natural compounds
11. Cosmetic chemicals
12. Various chemicals
13. Pesticides
14. Miscellaneous compounds
15. Doping: banned compounds

Total number of listed compounds = 2,666


1. Environmental Chemicals

Compound Toxic potential ToxPot class4 Main target5 Comments
Anthracene 0.443 ~   PAH: very toxic to aquatic organisms
Benzo[a]anthracene 0.541 *   PAH: polyaromatic hydrocarbon
Benzo[a]pyrene 0.548 *   PAH: genotoxic, cancerogenic
Benzil 0.496 ~   photoinitiator: skin, eye and respiratory irritant
3-Benzylidene camphor (1R,4S/1S,4R) 0.423 / 0.383 ~   UV absorber: endocrine disruptor
4,4'-Bis(dimethylamino)benzil 0.476 ~    
2,3-Bis(4-methoxyphenyl)-2-butene 0.507 *    
2,3-Bis(4-methoxyphenyl)-1,3-dimethylene-ethane 0.412 ~    
Bisphenol-A 0.485 ~   polymer additive: acute toxic in rats
Bisphenol-B 0.493 ~   polymer additive: estrogenic activity
2,3-Bisphenyl-2-butene 0.422 ~    
Chalcone 0.507 *   antibacterial, antifungal, anti-inflammatory
Chrysene 0.521 *   PAH: tumorigenic in animals
Cocaine 0.229     stimulant: induces teratogenesis; genotoxic to cells
Coumestrol 0.487 ~   phytochemical
p-Cumate 0.391      
Cumin alcohol 0.333      
p-Cymene 0.218      
DDT 0.485 ~   synthetic pesticide: banned in most developed countries
Doxycycline 0.381     antibiotic: skin photosensitivity
Dibenzo[ah]anthracene 0.614 ** AhR PAH: cancerogenic
4,4'-Dimethoxybenzil 0.387      
4,4'-Dimethylbenzil 0.413 ~    
2,3-Diphenylbutane-2,3-diol (RR/SS) 0.451 / 0.504 *    
2,3-Di-p-tolylbutane-2,3-diol (RR/SS) 0.487 / 0.462 ~    
17β-Estradiol 0.606 ** ERβ female sex hormone
Ethanol 0.012     alcoholic beverages
Gestrinone 0.618 ** AR synthetic steroid hormone
3,4,5,3',4',5'-Hexabromodiphenylether 0.553 *   flame retardant
1,2,3,4,7,8-Hexachlorodibenzofuran 0.493 ~   environmental pollutant: teratogenic, mutagenic
Homosalate 0.379     UV absorber
2-Hydroxy-4-methoxybenzophenone 0.378     UV absorber: no reproductive toxicity in mice
Kaempferol 0.424 ~   flavonoid
4-Methylbenzylidene camphor (1R,4S/1S,4R) 0.428 / 0.388 ~   UV absorber: endocrine disruptor
3-Methylcholanthrene 0.563 *   PAH: carcinogenic in mice
Methyltrienolone 0.543 *   anabolic steroid
Nicotine 0.310     tobacco alkaloid
Ochratoxin A (mono/di-anion) 0.369 / 0.289     mycotoxin: carcinogen in rats and mice
Octocrylene (R/S) 0.485 / 0.452 ~   UV absorber: evidence for malignant melanoma
Octyl-dimethyl-p-aminobenzoic acid (R/S) 0.542 / 0.494 *   UV absorber: no estrogenic activity in zebra fish
Octyl-methoxycinnamate (R/S) 0.561 / 0.512 *   UV absorber: estrogenic effects in laboratory animals
1,2,3,7,8-Pentachlorodibenzofuran 0.471 ~   environmental pollutant: teratogenic, mutagenic
2,3,4,7,8-Pentachlorodibenzofuran 0.488 ~   environmental pollutant: teratogenic, mutagenic
Perfluoric octanoic acid 0.364     fluorosurfactant, carcinogenic
Perylene 0.402 ~   PAH: hazardous pollutant, cancerogenic
Pyrene 0.314     PAH: toxic to aquatic organisms
Quercetin 0.404 ~   flavonoid (flavonol)
2,2',6,6'-Tetrabromobisphenol-A 0.621 ** AR flame retardant
2,3,7,8-Tetrachlorodibenzo-p-dioxin 0.608 ** AhR TCDD: carcinogen, chloracne
2,3,7,8-Tetrachlorodibenzofuran 0.564 *   environmental pollutant: teratogenic, mutagenic
Tetracycline 0.278     antibiotic: skin photosensitivity
2,2',4,4'-Tetrahydroxybenzophenone 0.283     UV absorber: estrogenic activity in human cells
2-Trifluormethyl-3,7,8-trichlorodibenzo-p-dioxin 0.615 ** AhR TCDD derivative: carcinogen
4 Toxic potential classes: **** (extreme: ToxPot > 0.8), *** (very high: ToxPot > 0.7), ** (high: ToxPot > 0.6), * (elevated: ToxPot > 0.5), ~ (modest: ToxPot > 0.4),   (low: ToxPot ≤ 0.4)
5 Protein displaying the highest calculated binding affinity; listed only for ToxPot > 0.6


2. Food Additives and Colorants

Compound Toxic potential ToxPot class Main target Comments
Acesulfame 0.187     calorie-free artificial sweetener
Adipic acid 0.167     flavorant and geling aid
Alitame 0.496 ~   peptidic artificial sweetener
Allylhexanoate 0.346     flavorant: no adverse effects in rats
Amaranth (highly charged: –3) 0.030     food dye: no serious toxic responses known
Benzaldehyde 0.201     flavorant; CNS disturbance in rats
Cyclamate 0.114     artificial sweetener: no clear evidence for toxicity
Dulcin 0.111     artificial sweetener: carcinogenic properties
E100 0.509 *   food dye: unclear toxicity
E102 (extremely charged: –4) 0.000     food dye: hyperactivity in children
E104 0.307     food yellow 13: banned in the US and Japan
E105 0.205     food dye: forbidden in US and Europe
E110 0.394     food yellow 6: hyperactivity in children
E121 (Citrus Red 2) 0.531 *   food dye (orange skin only): carcinogen
E122 (Azorubine) 0.182     food dye: forbidden in US and Europe
E125 (Scarlet GN) 0.058     food dye (fruit peels and maraschino cherries only)
E129 0.238     food dye: developmental toxicity in rats
E180 0.416 ~   food dye: banned in several countries
Erythorbic acid (E315) 0.271     antioxidant (stereoisomer of vitamin C)
Erythrosine 0.505 *   fluorone food dye: adverse effects in mice
Ethoxyquin 0.272     antioxidant (used in spices to prevent color loss)
Ethylmaltol 0.238     flavorant: no toxic effects in humans at low dosage
Ethylpropionate 0.138     flavorant: eye, skin and respiratory tract irritation
Heptyl-p-hydroxybenzoate 0.501 *   food additive: weak estrogen binder
Hexamine (E239) 0.094     preservative (cheese)
Indigo carmine (E132) 0.050     food colorant
Isoamylacetate 0.253     flavorant; low toxicity
Limonene 0.244     flavorant: skin irritant; no carcinogenicity/genotoxicity
Maltitol 0.444 ~   sugar substitute: weak genotoxic potential
Methylparabene 0.291     preservative for food, drugs, cosmetics: antifungal
Methylsalicylate 0.210     flavorant: may cause fetal deformations
Perillartine 0.353     artificial sweetener
Propylgallate 0.488 ~   antioxidant: growth retardation: no cancerogenicity
Sorbitol 0.338     flavorant: no harmful effects in man
Sucralose 0.481 ~   artificial sweetener
Tert.-butyl-hydroquinone 0.299     preservative for unsaturated vegetable oils
Triethylenecitrate (E1505) 0.305     foam stabilizer
Xylitol 0.320     sugar substitute: no known toxicity


3. Antibiotics6

Compound Toxic potential ToxPot class Main target Comments
Amoxicillin 0.311     β-lactam antibiotic
Ampicillin 0.482 ~   β-lactam antibiotic
Benzylpenicillin 0.272     gold-standard penicillin: toxic effects (CNS) at high dosage
Carbenicillin (R/S) 0.053 / 0.119     bactericidal, bacteriolytic
Carfecillin (R/S) 0.118 / 0.240     β-lactam antibiotic
Carumonam 0.000     monobactam antibiotic
Cefacetrile 0.156     first-generation cephalosporin antibiotic
Cefaclor 0.478 ~   cephalosporin antibiotic
Cefadroxil 0.118     broad-spectrum antibiotic
Cefalexin 0.260     first-generation cephalosporin antibiotic
Cefaloglycin 0.413 ~   first-generation cephalosporin antibiotic
Cefalotin 0.367     first-generation cephalosporin antibiotic
Cefamandole 0.430 ~   broad-spectrum cephalosporin antibiotic
Cefapirin 0.094     first-generation cephalosporin antibiotic
Cefatrizine 0.196     broad-spectrum cephalosporin antibiotic
Cefazaflur 0.276     first-generation cephalosporin antibiotic
Cefazedone 0.457 ~   cephalosporin antibiotic
Cefazolin 0.283     first-generation cephalosporin antibiotic
Cefcapene 0.039     third-generation cephalosporin antibiotic
Cefotaxime 0.280     third-generation cephalosporin antibiotic
Cefprozil 0.238     cephalosporin antibiotic
Ceftizoxime 0.193     third-generation cephalosporin antibiotic
Chloramphenicol 0.535 *   bacteriostatic antimicrobal
Chlortetracycline 0.344     tetracycline antibiotic
Ciclacillin 0.312     β-lactamase inhibitor
Cinoxacin 0.192     quinolone antibiotic
Ciprofloxacin 0.446 ~   bacteriocidal: CYP450 inhibitor; not carcinogenic in mice
Clavulanic acid 0.207     β-lactamase inhibitor
Clinafloxacin (R/S) 0.459 / 0.441 ~   quinoline antibiotic
Clofoctol 0.536 *   bacteriostatic antibiotic
Clometocillin (R/S) 0.472 / 0.259 ~   penicillin antibiotic
Enoxacin 0.432 ~   broad-spectrum antibiotic
Enrofloxacin 0.477 ~   fluoroquinolone antibiotic
Ethionamide 0.285     tubercolosis antibiotic
Faropenem 0.213     β-lactam antibiotic
Flucloxacillin 0.366     narrow-spectrum β-lactam antibiotic
Flumequine (R/S) 0.351 / 0.388     first-generation antibiotic used in veterinary medicine
Furazolidone 0.443 ~   diarrhea/enteritis antibiotic
Garenoxacin 0.306     quinolone antibiotic
Gatifloxacin 0.332     fourth-generation fluroroquinolone antibiotic
Gemifloxacin (R/S) 0.156 / 0.174     quinolone antibacterial agent
Grepafloxacin 0.382     quinoline antibacterial agent
Ibafloxacin 0.301     quinoline antibiotic
Imipenem 0.275     β-lactam antibiotic: causes nausea and vomiting
Isoniazid 0.216     tubercolosis antibiotic
Kanamycin (extremely charged: +4) 0.070     aminoglycoside antibiotic
Levamisole 0.416 ~   antihelminthic
Linezolid 0.411 ~   antibacterial (multi-resistant)
Lomefloxacin 0.408 ~   fluoroquinone antibiotic
Loracarbef (αD/βD/αL/βL) 0.473 / 0.299 / 0.399/ 0.372 ~   carbacephem antibiotic: nephrotoxic
Mafenide 0.231     sulfonamide
Marbofloxacin 0.156     fluoroquinone antibiotic
Mecillinam 0.382     penicillin antibiotic
Meclocycline 0.066     tetracycline antibiotic
Metampicillin (R/S) 0.345 / 0.377     penicillin antibiotic
Meticillin 0.283     narrow-spectrum β-lactam antibiotic
Metronidazole 0.180     anti-anaerobic bacterial
Mezlocillin 0.163     broad-spectrum penicillin antibiotic
Minocycline 0.067     tetracycline antibiotic
Moxifloxacin 0.336     fluoroquinolone antibiotic
Nadifloxacin (R/S) 0.446 / 0.502 *   fluoroquinolone antibiotic
Nafcillin 0.315     narrow-spectrum β-lactam antibiotic
Nitrofurantoin 0.181     antibacterial
Nitrofurazone 0.061     antibacterial for urinary-tract infections
Norfloxacin 0.390     antibacterial: not mutagenic and carcinogenic in animals
Ofloxacin (R/S) 0.238 / 0.197     against gonorrhea: various side effects
Orbifloxacin 0.381     fluoroquinolone antibiotic
Oxacillin 0.339     narrow-specturm β-lactam antibiotic
Oxytetracycline 0.038     broad-spectrum tetracycline antibiotic
Pazufloxacin 0.202     quinolone antibiotic
PC-190723 0.401 ~   antibacterial cell-division inhibitor
Phenoxymethylpenicillin 0.318     orally active form of penicillin
Prontosil (prodrug of sulfanilamide) 0.397     antibacterial: no toxic effects known
Pyrazinamide 0.158     against tuberculosis: hepatoxicity
Pyrimethamine 0.258     treatment of protozoal infections (malaria)
Rufloxacin 0.237     quinolone antibiotic
Sarafloxacin 0.505 *   quinoline antibiotic
Sitafloxacin 0.471 ~   fluoroquinoline antibiotic
Sparfloxacin 0.359     fluoroquinolone antibiotic
Sulbactam 0.210     β-lactam antibiotic
Sulbenicillin (R/S) 0.061 / 0.054     penicillin antibiotic
Sulfacetamide 0.257     anti-inflammatory: thyroid malignancies in rats
Sulfamethoxazole 0.304     bacteriostatic antibiotic
Sulfanilamide (active metabolite of prontosil) 0.283     first discovered sulfonamide antibiotic
Talampicillin (R/S) 0.478 / 0.305 ~   β-lactam antibiotic
Ticarcillin 0.041     β-lactam antibiotic
Tinidazole 0.313     against protozoan infections: various side effects
Tosufloxacin (R/S) 0.344 / 0.241     fluoroquinolone antibiotic
Trimethoprim 0.243     bacteriostatic
Xibornol 0.355     antibacterial
6 Further antibiotics are listed in class 8.


4. Psychotropic Drugs

Compound Toxic potential ToxPot class Main target Comments
Alprazolam 0.561 *   treatment of anxiety disorders, panic attacks
Amitriptyline 0.409 ~   antidepressant
Bupropion (R/S) 0.373 / 0.359     atypical antidepressant
Buspirone 0.315     anxiolytic agent
Clomipramine 0.464 ~   antidepressant: various side effects
Desipramine 0.518 *   antidepressant: genotoxic
Doxepin 0.441 ~   psychotropic agent: various side effects
Duloxetine 0.493 ~   treatment of major depressive disorders
Escitalopram 0.433 ~   treatment of depression and anxiety
Flunitrazepam 0.527 *   hypnotic drug; sedative, anxiolytic, amnestic: some side effects
Fluoxetine (R/S) 0.566 / 0.567 *   antidepressant: various side effects
Imipramine 0.457 ~   antidepressant: various side effects
Lorazepam (R/S) 0.540 / 0.575 *   anxiolytic, sedative/hypnotic, anticonvulsant: various side effects
Methylphenidate (R/S) 0.386 / 0.500     stimulant; ADHD: various side effects
Mirtazapine 0.361     treatment of depression
Moclobemide 0.505 *   treatment of depression, social anxiety
Modafinil 0.260     psychostimulant: various side effects, some severe
Nikethamide 0.318     psychostimulans
Nortriptyline 0.478 ~   antidepressant
Paroxetine 0.633 ** hERG antidepressant
Reboxetine 0.571 *   antidepressant
Sertraline 0.417 ~   antidepressant
Trazodone 0.394     sedative, anxiolytic, antidepressant
Trimipramine (R/S) 0.392 / 0.400     antidepressant: various side effects
Venlafaxine (R/S) 0.432 / 0.426 ~   antidepressant


5. Blockbusters

Compound Toxic potential ToxPot class Main target Comments
Amlodipine (R/S) 0.406 / 0.628 ** hERG calcium-channel blocker: various side effects; not carcinogenic
Anastrozole 0.410 ~   treatment of breast cancer
Aripiprazole 0.374     treatment of schizophrenia
Atorvastatin 0.408 ~   statin; cholesterol reducer: various side effects; not teratogenic
Bicalutamide 0.519 *   antiandrogen; treatment of prostate cancer
Budesonide 0.694 ** GR treatment of asthma and nasal polyposis
Candesartan 0.376     treatment of hypertension
Carvedilol (R/S) 0.611 / 0.575 ** hERG non-selective beta blocker
Celecoxib 0.588 *   NSAID (treatment of osteoarthritis)
Cetirizine (R/S) 0.489 / 0.546 *   antihistamine
Clopidogrel (R/S) 0.533 / 0.496 *   anti-platelet agent: various side effects; not teratogenic
Donepezil (R/S) 0.636 / 0.402 ** hERG reversible ACE inhibitor
Esomeprazole 0.573 *   proton-pump inhibitor: not toxic in rats (within therapeutic ranges)
Ezetimibe 0.619 ** AR anti-hyperlipidemic drug
Fenofibrate 0.546 *   cholesterol reducer
Fluticasone 0.683 ** GR corticosteroid: low potential for systemic toxicity
Gemcitabine 0.099     chemotherapeutic drug
Irbesartan 0.569 *   treatment of hypertension
Lansoprazole 0.368     proton-pump inhibitor: various side effects; carcinogenic in mice/rats
Levofloxacin 0.196     fluoroquinolone antibiotic
Memantine 0.097     Alzheimer's disease medication
Metoprolol (R/S) 0.493 / 0.426 ~   treatment of hypertension
Montelukast 0.407 ~   leukotriene receptor antagonist: some side effects; not toxic
Olanzapine 0.480 ~   antipsychotic: various side effects; evidence for teratogenicity
Omeprazole 0.434 ~   proton-pump inhibitor
Pantoprazole 0.498 ~   proton-pump inibitor: sporadic occurence of adenomas/carcinomas
Pioglitazone (R/S) 0.332 / 0.365     antihyperglycemic, antidiabetic drug
Pregabalin 0.335     anticonvulsant drug
Quetiapine 0.557 *   neuroleptic: various side effects
Rabeprazole 0.572 *   proton-pump inibitor
Raloxifene 0.307     prevention of osteoporosis
Risperidone 0.479 ~   antipsychotic: mammary gland adenocarcinomas; not mutagenic
Rosuvastatin 0.344     treatment of hypercholesterolemia
Salmeterol 0.657 ** hERG β2-adrenergic receptor agonist: various side effects; not teratogenic
Simvastatin 0.315     hypolipidemic drug
Tamsulosin 0.431 ~   treatment of benign prostatic hyperplasia
Telmisartan 0.338     treatment of hypertension
Tolterodine (R/S) 0.466 / 0.375 ~   antimuscarinic drug
Topiramate 0.262     anticonvulsant drug
Valaciclovir 0.226     antiviral drug


6. Withdrawn Drugs7

Compound Toxic potential ToxPot class Main target Comments
Alosetron 0.525 *   5HT3 antagonist
Alpidem 0.479 ~   anxiolytic drug
Amineptine 0.554 *   antidepressant
Benfluorex (R/S) 0.462 / 0.515 *   anorectic, hypolipidemic agent
Benziodarone 0.501 *   vasodilator
Buformin 0.015     antidiabetic drug: induces lactic acidosis
Cerivastatin 0.521 *   statin; cholesterol reducer
Cisapride 0.561 *   5HT4 agonist
Danazol 0.642 ** AR+2D6 synthetic steroid: increased risk for liver tumors
Diethylstilbestrol 0.655 ** ERα non-steroidal estrogen: teratogenic
Fenfluramine 0.379     anti-obesity drug: pulmonary hypertension
Hydromorphone 0.387     analgesic
Levacetylmethadol 0.427 ~   treatment of opioid addiction
LSD 0.414 ~   semi-synthetic psychedelic drug: low toxicity
Lumiracoxib 0.494 ~   NSAID (COX-2)
Methaqualone 0.319     sedative: several side effects (some severe)
Mibefradil 0.380     treatment of hypertension, angina pectoris
Nimesulide 0.446 ~   NSAID
Nomifensine (R/S) 0.391 / 0.402 ~   norepinephrine-dopamine reuptake inhibitor
Pemoline (R/S) 0.264 / 0.279     ADHD, narcolepsy
Phenformin 0.033     antidiabetic drug: induces lactic acidosis
Phenylpropanolamine 0.322     decongestant
Repaglinide 0.376     treatment of type II diabetes
Rofecoxib 0.558 *   non-steroidal anti-inflammatory drug: increased risk of heart attack
Sorivudin 0.271     virostaticum
Tegaserod 0.353     treatment of IBS and constipation
Temafloxacin 0.483 ~   fluoroquinolone antibiotic
Temazepam (R/S) 0.505 / 0.599 *   3-hydroxy benzodiazepine: several side effects (some severe)
Terfenadine (R/S) 0.682 / 0.724 *** hERG antihistamine: cardiotoxic
Thalidomide (R/S) 0.238 / 0.213     sedative hypnotic: teratogenic
Tienilic acid 0.515 *   uric acid lowering: hepatotoxic
Tolrestat 0.449 ~   aldose reductase inhibitor
Triazolam 0.541 *   sedative: serious side effects
Troglitazone (R/S) 0.472 / 0.540 *   anti-diabetic, anti-inflammatory: hepatotoxic
Trovafloxacin 0.312     antibiotic
Ximelagatran 0.429 ~   anticoagulant
Zimelidine 0.526 *   selective serotonin reuptake inhibitor: neuropathic
7 The ToxPot refers to the computed toxic potential of a biologically active compound (cf. top of this page) and may not be linked to the withdrawal of a drug.


7. Designer Drugs

Compound Toxic potential ToxPot class Main target Comments
2C-B 0.495 ~   psychedelic: several side effects
2C-C 0.448 ~   psychedelic
2C-E 0.420 ~   psychedelic: restricted used in several countries
2C-I 0.505 *   recreational drug, entheogenic: illegal in the EU
2C-T-2 0.534 *   psychedelic, entheogenic
2C-T-21 0.504 *   psychedelic
2C-T-7 0.516 *   hallucinogenic: many side effects; can be lethal
4-Acetoxy-DIPT 0.426 ~   hallucinogenic
Allylescaline 0.519 *   psychedelic drug
Benzylpiperazine 0.389     recreational drug: various side effects; renal toxicity
BOH (R/S) 0.493 / 0.452 ~   psychoactive drug (entactogen, psychedelic)
1-(3-Chlorophenyl)piperazine 0.422 ~   5-HT receptor agonist: some side effects
Cyclopropylmescaline 0.533 *   psychedelic drug
Desmethylprodine 0.448 ~   opioid analgesic, recreational drug
Diisopropyltryptamine 0.324     psychedelic, hallucinogenic: some side effects
2,5-Dimethoxy-4-bromoamphetamine 0.478 ~   psychedelic, hallucinogenic
Dipropyltryptamine 0.468 ~   psychedelic
α-Ethyltryptamine (R/S) 0.351 / 0.344     psychoactive drug: withdrawn
5-MeO-AMT (R/S) 0.322 / 0.408     psychedelic: various side effects; can be fatal; illegal in the US
5-MeO-DMT 0.351     psychedelic: various side effects; restricted used in several countries
Mephedrone (R/S) 0.343 / 0.333     synthetic stimulant
5-Methoxy-diisopropyltryptamin 0.350     psychedelic: endocrine disruptor; illegal in many countries
Methylbenzylpiperazine 0.351     stimulant drug
3,4-Methylenedioxyethylamphetamin (R/S) 0.380 / 0.373     MDEA: psychedelic, stimulant
3,4-Methylenedioxymethamphetamin (R/S) 0.306 / 0.363     Ecstasy: psychedelic, ampathogenic: possibly neurotoxic
3,4-Methylenedioxy-N-methylamphetamin (R/S) 0.305 / 0.362     MDMA: psychedelic, stimulant
3-Methylfentanyl 0.446 ~   opioid analgesic: several side effects; has caused many deaths
α-Methylfentanyl (R/S) 0.468 / 0.402 ~   opioid analgesic: several (including severe) side effects
α-Methyltryptamine (R/S) 0.346 / 0.330     antidepressant
Parafluorofentanyl 0.543 *   opioid analgesic: various side effects (some life-threatening)
α-Pyrrolidinopropiophenone (R/S) 0.363 / 0.311     stimulant drug
Tenocyclidine 0.432 ~   dissociative anesthetic drug
Trifluoromethylphenylpiperazine 0.476 ~   recreational drug: various side effects


8. Various Drugs

Compound Toxic potential ToxPot class Main target Comments
Abafungin 0.340     antifungal drug
Abanoquil 0.351     α1-adrenergic antagonist
Abecarnil 0.411 ~   anxiolytic drug
Abiraterone 0.532 *   under investigation for prostate cancer treatment
Abunidazole (R/S) 0.527 / 0.536 *   antifungal drug
Acaprazine 0.369     nootropic drug
Acemetacin 0.472 ~   treatment of arthritis: moderate toxicity, not teratogenic
Acenocoumarol (R/S) 0.425 / 0.392 ~   anticoagulant
Acepromazine 0.424 ~   sedative, antiemetic drug
Aceprometazine (R/S) 0.575 / 0.554 *   neuroleptic, antihistamine
Acetazolamide 0.082     carbonic anhydrase inhibitor: not toxic
Acetohexamide 0.264     treatment of diabetes mellitus type 2
Acetophenazine 0.566 *   antipsychotic
Aciclovir 0.084     analgesic
Adafenoxate 0.517 *   nootropic in rats
Adapalene 0.551 *   treatment of acne and pilaris keratosis
Afimoxifene 0.634 ** ERα selective estrogen receptor modulator
Agomelatine 0.317     antidepressant
Alaproclate (R/S) 0.422 / 0.405 ~   antidepressant
Albendazole 0.274     treatment of worm infestations
Alclofenac 0.406 ~   NSAID
Alclometasone 0.619 ** GR anti-inflammatory, antipruritic, antiallergic, vasoconstrictive agent
Aldesulfone 0.292     treatment of leprosy
Alfadolone 0.427 ~   neuroactive steroid with hypnotic effects
Alfaxalone 0.433 ~   general anesthetic
Alfentanil 0.428 ~   analgesic drug (used as anesthesia in surgery)
Alfetamine (R/S) 0.323 / 0.361     antidepressant (not marketed)
Alfuzosin 0.513 *   treatment of benign prostatic hyperplasia
Alimemazine (R/S) 0.303 / 0.334     antipruritic drug
Alizapride 0.483 ~   antiemetic drug
Allantoin (R/S) 0.010 / 0.008     keratolytic agent: non-toxic
Allobarbital 0.103     anticonvulsant
Allopurinol 0.156     treatment of hyperuricemia
Alminoprofen (R/S) 0.416 / 0.363 ~   NSAID
Almotriptan 0.181     treatment of migraine headaches
Amantadine 0.092     antiviral and antiparkinsonian drug
Amcinonide 0.412 ~   corticosteroid
Amiloride 0.009     potassium-sparing diuretic
Aminorex (R/S) 0.366 / 0.318     anorectic stimulant drug
Amiodarone 0.478 ~   antiarrhythmic agent
Amitraz 0.413 ~   antiparasitic drug
Amlexanox 0.177     antiallergic, anti-inflammatory
Amodiaquine 0.461 ~   antimalarial and anti-inflammatory drug
Amoxapine 0.523 *   antidepressant drug
Ampyrone 0.360     metabolite of aminopyrine; use as drug is discouraged
Amsacrine 0.417 ~   antineoplastic agent
Anagrelide 0.299     treatment of chronic myeloid leukemia
Anecortave 0.594 *   angiogenesis inhibitor
Aniracetam 0.355     nootropic, more potent than piracetam: some side effects
Anisindione 0.274     anticoagulant
Antazolin 0.547 *   antihistamine drug
Apomorphine 0.419 ~   dopaminergic agonist (D1/D2)
Apraclonidine 0.095     treatment of glaucoma
Aprinidine 0.569 *   antiarrhythmic agent
Asenapine 0.404 ~   treatment of schizophrenia
Asoprisnil 0.604 ** PR selective progesterone receptor modulator
Aspirin 0.254     antipyretic drug
Astemizole 0.617 ** hERG antihistamine drug
Atenolol (R/S) 0.410 / 0.476 ~   selective β1-receptor antagonist
Atovaquone 0.495 ~   treatment of PCP, toxoplasmosis and malaria
Azatadine 0.409 ~   antihistamine
Azathioprine 0.326     immunosuppressant
Baclofen (R/S) 0.375 / 0.328     spasticity treatment
Balsalazide 0.083     treatment of inflammatory bowel disease
Bamipine 0.551 *   antipruritic drug
Barbital 0.105     first commercially marketed barbiturate
Bendazac 0.403 ~   NSAID
Bendroflumethiazide (R/S) 0.272 / 0.256     treatment of hypertension
Bentiromide (R/S) 0.426 / 0.307 ~   treatment of chronic pancreatis: withdrawn in the USA and Canada
Benzatropine (cis/trans) 0.412 / 0.499 ~   treatment of drug-induced parkinsonims, akathisia and acute dystonia
Benzbromarone 0.472 ~   uricosuric agent, treatment of gout
Benzocaine 0.272     local anesthetic
Benzoctamine 0.399     sedative, anxiolytic
Benzydamine 0.507 *   NSAID
Bepridil (R/S) 0.552 / 0.554 *   treatment of angina
Betahistine 0.316     treatment of balance disorders
Betamethasone 0.680 ** GR anti-inflammatory, immunosuppressive drug
Betamipron 0.339     prevention of (panipenem-caused) nephrotoxicity
Betanidine 0.205     sympatholytic drug
Betaxolol (R/S) 0.566 / 0.586 *   treatment of hypertension and glaucoma
Betazole 0.281     H2 receptor agonist
Bevantolol (R/S) 0.660 / 0.632 ** hERG calcium-channel blocker
Bexarotene 0.540 *   antienoplastic agent
Bezafibrate 0.503 *   treatment of hyperlipidemia
Bezitramide 0.427 ~   analgesic drug
Bicifadine (RR/SS) 0.285 / 0.328     analgesic drug
Biclotymol 0.497 ~   phenolic antiseptic
Bifonazole (R/S) 0.711 / 0.725 *** AhR antifungal drug
Binospirone (R/S) 0.492 / 0.615 ** hERG partial 5HT1A agonist; anxiolytic effects
Biperiden (R/S) 0.499 / 0.505 *   antiparkisonian agent
Biricodar 0.449 ~   treatment of ovarian cancer
Bisacodyl 0.591 *   laxative drug
Bisoprolol (R/S) 0.477 / 0.461 ~   treatment of cardiovascular diseases
Bisoxatin 0.481 ~   laxative drug
Bitolterol (R/S) 0.543 / 0.399 *   treatment of asthma and COPD
Blonanserin 0.455 ~   antipsychotic drug
Bopindolol (R/S) 0.330 / 0.487     β-blocker; acts as prodrug for pindolol
Bornaprine (R/S) 0.335 / 0.450     anticholinergic drug
Bosentan 0.174     treatment of pulmonary artery hypertension
Bretazenil 0.263     anxiolytic drug
Brifentanil 0.421 ~   opioid analgesic
Brimonidine 0.359     treatment of open-angle glaucoma or ocular hypertension
Brinzolamide (R/S) 0.053 / 0.081     treatment of glaucoma or ocular hypertension
Brivudine 0.178     antiviral drug
Brodimoprim 0.245     antibacterial drug
Brofaromine 0.586 *   treatment of depression and anxiety
Bromazepam 0.407 ~   anxiolytic drug; at higher doses sedative and hypnotic
Bromazine (R/S) 0.505 / 0.454 *   antihistamine
Bromfenac 0.504 *   NSAID
Bromhexine 0.381     mucolytic agent
Bromopride 0.338     antiemetic drug
Bromperidol 0.560 *   treatment of schizophrenia
Brompheniramine (R/S) 0.397 / 0.452     antihistamine
Brotizolam 0.378     anxiolytic, anticonvulsant, sedative
Broxaterol (R/S) 0.384 / 0.319     β-adrenergic agonist
Broxyquinoline 0.346     anti-infective agent
Bucolome 0.097     analgesic, anti-inflammatory
Budipine 0.431 ~   dopaminergic agent
Budralazine 0.482 ~   vasodilator
Bufexamac 0.499 ~   anti-inflammatory, analgesic
Buflomedil 0.390     vasoactive drug (treatment of claudication)
Bumadizone (R/S) 0.549 / 0.415 *   NSAID
Bumetanide 0.490 ~   loop diuretic: high plasma levels are toxic to animals
Bunaftine 0.512 *   antiarrhythmic agent
Bunazosin 0.440 ~   α1-antagonist
Buparvaquone 0.380     antiprotozoal drug
Bupivacaine 0.360     local anesthetic
Busulfan 0.284     chemotherapy drug
Butaclamol 0.371     antipsychotic
Butalamine 0.594 *   vasodilator
Butamirate (R/S) 0.448 / 0.427 ~   cough suppressant
Butaxamine 0.329     β2-selective blocker
Butenafine 0.508 *   antifungal agent
Butoconazole (R/S) 0.573 / 0.547     antifungal agent
Butriptyline (R/S) 0.416 / 0.413 ~   antidepressant
Cabergoline 0.164     dopamine-receptor agonist
Cadralazine (R/S) 0.558 / 0.463 *   treatment of hypertension
Cafedrine (RR/RS/SR/SS) 0.596 / 0.623 / 0.573 / 0.509 ** hERG cardiac stimulant
Camazepam (R/S) 0.395 / 0.473     anxiolytic, anticonvulsant, sedative
Camostat 0.075     serine protease inhibitor
Canrenoic acid 0.540 *   canrenone derivative
Canrenone 0.446 ~   metabolite of spironolactone
Captodiame (R/S) 0.597 / 0.550 *   anxiolytic drug
Captopril 0.318     treatment of hypertension
Carazolol (R/S) 0.524 / 0.526 *   anxiolytic, anticonvulsant, sedative
Carbamazepine 0.292     anticonvulsant
Carbazochrome (R/S) 0.059 / 0.062     antihemorrhagic agent
Carbenoxolone 0.310     treatment of inflammation
Carbidopa 0.316     treatment of Parkinson's disease
Carbimazole 0.318     treatment of hyperthroidism
Carbinoxamine (R/S) 0.438 / 0.439 ~   antihistamine
Carbocromen 0.436 ~   vasodilator
Carboquone (R/S) 0.360 / 0.413     chemotherapeutic agent
Carbutamide 0.228     anti-diabetic drug
Carbuterol (R/S) 0.253 / 0.293     β2-agonist
Carfentanyl 0.482 ~   opioid analgesic
Carisoprodol (R/S) 0.324 / 0.315     muscle relaxant
Carmofur 0.215     antienoplastic agent
Caroverine 0.435 ~   treatment of gastrointestinal disorders
Carperidine 0.556 *   opioid analgesic
Carprofen (R/S) 0.357 / 0.393     NSAID used by veterinarians
Carteolol (R/S) 0.269 / 0.405     treatment of glaucoma
Celiprolol (R/S) 0.230 / 0.228     antihypertensive
Centrophenoxine 0.267     nootropic (senile dementia, Alzheimer): some side effects
Cetiedil (R/S) 0.588 / 0.573 *   vasodilator
Cetraxate 0.499 ~   cytoprotective agent
Cevimeline 0.158     parasympathomimetic
Chiniofon 0.199     antiprotozoal agent
Chlorambucil 0.572 *   chemotherapeutic drug
Chlorbenzoxamine (R/S) 0.565 / 0.516 *   treatment of gastrointestinal disorders
Chlorcyclizine (R/S) 0.578 / 0.577 *   antihistamine
Chlormadinone 0.579 *   proestrogen (added to contraceptives)
Chlormezanone (R/S) 0.417 / 0.402 ~   anxiolytic
Chloropyramine 0.374     first-generation antihistamine
Chloroquine (R/S) 0.246 / 0.145     treatment and prevention of malaria
Chlorothen 0.299     antihistamine
Chlorothiazide 0.073     diuretic, antihypertensive
Chlorotrianisene 0.447 ~   synthetic estrogen
Chlorphenamine (R/S) 0.370 / 0.391     first-generation antihistamine
Chlorphenesin (R/S) 0.479 / 0.477 ~   muscle relaxant
Chlorphenoxamine (R/S) 0.476 / 0.479 ~   antipruritic
Chlorpromazine 0.375     treatment of schizophrenia
Chlorpropamide 0.349     treatment of type-2 diabetes
Chlorprothixene 0.481 ~   antipsychotic drug
Chlorzoxazone 0.263     muscle relaxant
Ciclazindol (R/S) 0.568 / 0.570 *   antidepressant
Ciclesonide 0.535 *   treatment of obstructive airway diseases
Cicletanine (R/S) 0.456 / 0.438 ~   low-ceiling diuretic drug
Ciclobendazole 0.332     antihelmintic drug
Ciclonicate 0.450 ~   vasodilating agent
Ciclopirox 0.323     antifungal agent
Cilansetron 0.498 ~   5HT3 antagonist
Cilnidipine 0.486 ~   5HT3 antagonist
Cilostazol 0.618 ** PR treatment of intermittent claudication
Cimetidine 0.151     H2-receptor antagonist
Cimoxatone (R/S) 0.567 / 0.533 *   antidepressant
Cinacalcet 0.469 ~   calcimimetic
Cinanserin 0.375     serotonin receptor antagonist
Cinchocaine 0.440 ~   local anesthetic
Cinchophen 0.457 ~   analgesic drug
Cinnarizine (cis/trans) 0.576 / 0.566 *   treatment of motion sickness
Cinolazepam (R/S) 0.544 / 0.518 *   anxiolytic, anticonvulsant, sedative
Cipemastat 0.412 ~   anti-arthritis agent
Ciramadol 0.463 ~   opioid analgesic
Cirazoline 0.416 ~   α-adrenergic receptor agonist
Clamoxyquine 0.457 ~   antiamoebic, antidhiarrheal drug
Clebopride 0.325     antiemetic drug
Clefamide 0.542 *   antiprotozoal agent
Clemastine 0.551 *   antihistamine
Clemizole 0.529 *   antihistamine
Clenbuterol (R/S) 0.403 / 0.323 ~   bronchodilator, decongestant
Clentiazem (R/S) 0.279 / 0.297     calcium-channel blocker
Clevidipine 0.270     calcium-channel blocker
Climazolam 0.331     anesthetic in veterinary medicine
Clioquinol 0.317     antifungal and antiprotozoal drug
Clobazam 0.297     anxiolytic drug
Clobenzorex (R/S) 0.387 / 0.388     appetite suppressor (anorectic)
Clobetasol 0.719 *** GR treatment of eczema and psoriasis
Clobetasone 0.636 ** GR treatment of eczema
Clobutinol (RR/RS/SR/SS) 0.299 / 0.351 / 0.393 / 0.417     cough suppressant
Clocinizine (R/S) 0.595 / 0.556 *   antihistamine
Clodantoin (RR/RS/SR/SS) 0.546 / 0.439 / 0.436 / 0.503 *   drug used in gynecology
Clofazimine 0.422 ~   treatment of leprosy
Clofedanol (R/S) 0.511 / 0.498 *   cough suppressant
Clofenciclan 0.497 ~   stimulant drug
Clofibrate 0.412 ~   lipid-lowering agent
Clomethiazole 0.288     sedative, hypnotic
Clomifene (E/Z) 0.437 / 0.530 *   selective estrogen receptor modulator
Clominorex (R/S) 0.342 / 0.351     appetite suppressant
Clonazepam 0.491 ~   anticonvulsant, anxiolytic
Clonidine 0.268     antihypertensive
Clonitazene 0.562 *   opioid analgesic
Clopenthixol (cis/trans) 0.596 / 0.585 *   antipsychotic drug
Cloperastine (R/S) 0.589 / 0.583 *   cough suppressant
Clorazepate (R/S) 0.457 / 0.335 ~   anxiolytic, anticonvulsant, sedative
Clorexolone 0.484 ~   low-ceiling sulfonamide diuretic
Clorgiline 0.409 ~   antidepressant
Cloricromen 0.376     platelet-aggregation inhibitor
Cloridarol (R/S) 0.525 / 0.518 *   vasodilator
Clorindione 0.306     vitamin K antagonist
Cloroqualone 0.349     sedative, antitussive
Clotrimazole 0.626 ** 2D6+3A4 sedative, antitussive
Cloxazolam (R/S) 0.444 / 0.431 ~   anxiolytic, anticonvulsant, sedative
Clozapine 0.485 ~   antifungal medication
CNQX (6-cyano-7-nitroquinoxaline-2,3,-dione) 0.143     AMPA/kainate receptor antagonist
Coluracetam 0.301     treatment of ischemic retinopathy: little or no toxicity
Cortivazol 0.540 *   glucocorticoid receptor agonist
Croconazole 0.466 ~   antifungal agent
Cromoglicic acid 0.240     mast-cell stabilizer
Crotamiton 0.373     antipruritic
Cyclandelate (R/S) 0.524 / 0.463 *   vasodilator
Cyclazodone (R/S) 0.296 / 0.327     stimulant drug
Cyclizine 0.519 *   antihistamine
Cyclobenzaprine 0.439 ~   antidepressant
Cyclofenil 0.569 *   estrogen receptor modulator
Cycloguanil 0.072     antimalarial drug
Cyclomethycaine 0.494 ~   local anesthetic
Cyclopentolate (R/S) 0.343 / 0.270     mydriatic and cycloplegic agent
Cypenamine (1R,2S/1S,2R) 0.333 / 0.357     stimulant drug
Cyprazepam 0.609 ** GR benzodiazepin (not approved for sale in the US)
Cyproheptadine 0.476 ~   antihistamine
Cyproterone 0.521 *   antiandrogen (treatment of precocious puberty)
Dacemazine 0.451 ~   antispasmodic, antitussive
Dalcetrapib 0.323     CETP inhibitor
Dantrolene 0.324     muscle relaxant
Dapiprazole 0.558 *   mydriasis-reversing agent
Dapoxetine 0.465 ~   short-acting SSRI drug
Dapsone 0.228     treatment of leprae
Darifenacin 0.595 *   treatment of urinary incontinence
Darodipine 0.376     calcium channel blocker
Darunavir 0.495 ~   treatment of HIV infection
Daunorubicin 0.520 *   treatment of acute myeloid and lymphocytic leukemia
Decoquinate 0.370     coccidiostatic agent
Deferasirox 0.575 *   treatment of thalassaemia major
Deferiprone 0.208     rationally-designed iron chelator
Dehydroepiandrosterone 0.509 *   cholesterol metabolite: liver tumor inducer
Delapril (drug/prodrug) 0.539 / 0.497 *   ACE inhibitor
Delavirdine 0.197     reverse transcriptase inhibitor
Demecolcine 0.586 *   chemotherapeutic agent
Denopamine 0.584 *   treatment of angina
Deptropine 0.351     antihistamine with anticholinergic properties
Deracoxib 0.598 *   NSAID
Desloratadine 0.532 *   treatment of allergies
Desogestrel (prodrug) 0.514 *   used in hormonal contraceptives
Desomorphine 0.268     opiate analogue
Desonide 0.583 *   treatment of eczema and dermatitis
Desoximetasone 0.649 ** GR topical corticosteroid
Desoxypipradrol 0.554 *   treatment of various skin conditions (rashes, itching, redness)
Detomidine 0.432 ~   large-animal sedative primarily used in horses
Devapamil (R/S) 0.235 / 0.465     calcium channel blocker
Devazepide 0.402 ~   treatment of dyspepsia, gastroparesis and gastric reflux
Dexamethasone 0.669 ** GR anti-inflammatory, immunosuppressant drug
Dexbrompheniramine 0.387     antihistamine
Dexfenfluramine 0.381     anorectic drug
Dexibuprofen 0.422 ~   NSAID
Dexketoprofen 0.500 ~   NSAID
Dexmedetomidine 0.425 ~   sedative medication
Dexmethylphenidate 0.408 ~   treatment of ADHD
Dexrazoxane 0.243     protection against cardiotoxic side effects of anthracyclines
Dextromethorphan 0.368     antitussive drug
Dextromoramide (R/S) 0.578 / 0.538 *   opioid analgesic
Dezocine 0.400     opioid analgesic
Diacerein 0.294     treatment of osteoarthritis
Diampromide (R/S) 0.481 / 0.537 *   opioid analgesic
Diazepam 0.499 ~   anxiolytic, anticonvulsant, sedative
Diazoxide 0.182     treatment of hypertension and insulinoma
Dibenzepin 0.444 ~   antidepressant
Dibrompropamidine 0.039     antiseptic, disinfectant
Dibunate 0.437 ~   cough suppressant
Diclazuril (R/S) 0.451 / 0.422     cocciodiostat
Diclofenac 0.473 ~   analgesic: some side effects
Dicoumarol 0.159     anticoagulant (Vitamin K antagonist)
Dicycloverine 0.361     anticholinergic drug
Didanosine 0.243     reverse transcriptase inhibitor
Dienestrol 0.605 ** ERα treatment of vulvar atrophy and atrophic vaginitis
Dienogest 0.446 ~   oral contraceptive
Diethylcarbamazine 0.250     antihelmintic drug
Diethylthiambutene (R/S) 0.251 / 0.300     opioid analgesic
Difemerine 0.566 *   antimuscarinic
Difenoxin 0.518 *   opioid analgesic
Diflunisal 0.456 ~   generic NSAID
Dihydrocodeine 0.277     opioid analgesic
Dihydroxyphenylglycine (DHPG) 0.270     mGluRS agonist
Diisopromine 0.462 ~   neutralizes spastic conditions of the biliary tract
Diloxanide furoate 0.594 *   antiprotozoal drug
Diltiazem 0.207     treatment of hypertension, angina pectoris
Dimefline 0.367     respiratory stimulant
Dimethoxanate 0.399     cough suppressant
Diminazene 0.013     treatment of Trypanosmiasis
Diphenhydramine 0.410 ~   antihistamine, antiemetic, sedative, hypnotic
Diphenylpyraline 0.557 *   antihistamine with psychostimulant properties
Dipivefrine (R/S) 0.631 / 0.652 ** MR treatment of glaucoma
Diproqualone (R/S) 0.443 / 0.379 ~   sedative, anxiolytic, analgesic
Dipyridamole 0.467 ~   inhibits thrombus formation
Disopyramide (R/S) 0.415 / 0.468 ~   antiarrhythmic medication
Ditazole 0.587 *   platelet-aggregation inhibitor
Dithranol 0.328     treatment of psoriasis
Dizocilpine 0.201     anticonvulsant
Dobutamine (R/S) 0.554 / 0.589 *   treatment of heart failure and cardiogenic shock
Dofetilide 0.187     class III antiarrhythmic agent
Dolasetron 0.046     treatment of nausea/vomiting following chemotherapy
Domperidone 0.180     antidopaminergic drug
Dorzolamide (R/S) 0.181 / 0.268     treatment of glaucoma, ocular hypertension
Dosulepin 0.387     antidepressant
Dotarizine 0.589 *   vasodilator
Doxazosin (R/S) 0.393 / 0.368     treatment of hypertension
Doxefazepam (R/S) 0.574 / 0.597 *   anxiolytic, anticonvulsant, sedative
Doxofylline 0.337     treatment of asthma
Doxylamine (R/S) 0.340 / 0.289     short-term sedative
Dronedarone 0.186     treatment of cardiac arrhythmias
Droperidol 0.427 ~   antiemetic, antipsychotic
Dropropizine (R/S) 0.526 / 0.478 *   cough suppressant
Drospirenone 0.385     oral contraceptive
Drotaverine 0.304     antispasmodic drug
Drotebanol 0.473 ~   cough suppressant
Droxicam 0.373     NSAID
Droxypropine 0.520 *   cough suppressant
Dutasteride 0.378     treatment of benign prostatic hyperplasia
Dyclonine 0.464 ~   oral anesthetic (throat lozenges)
Dydrogesterone 0.414 ~   progesterone hormone
Ebastine 0.667 ** hERG antihistamine
Econazole (R/S) 0.580 / 0.637 ** 2D6 antifungal medication
Efaroxan (R/S) 0.416 / 0.452 ~   α2-blocker
Eflornithine 0.323     treatment of African trypanosomiasis
Efloxate (drug/prodrug) 0.472 / 0.631 ** AhR vasodilator
Efonidipine (R/S) 0.222 / 0.461     calcium channel blocker
Elesclomol 0.184     chemotherapy adjuvant
Eletriptan 0.526 *   treatment of migraine headaches
Elfazepam 0.341     sedative, anxiolytic
Eliprodil (R/S) 0.597 / 0.550     neuroprotective, anticonvulsant
Ellipticine 0.446 ~   anticancer drug
Eltrombopag 0.279     treatment of thrombocytopenia
Embramine (R/S) 0.491 / 0.522 *   antihistamine
Embutramide 0.467 ~   sedative drug
Emedastine 0.297     antihistamine
Emopamil (R/S) 0.547 / 0.450 *   calcium channel blocker
Emtricitabine 0.268     reverse transcriptase inhibitor
Enadoline 0.471 ~   selective κ-opioid agonist
Enalapril (prodrug/drug) 0.495 / 0.427 ~   treatment of hypertension
Encainide (R/S) 0.424 / 0.413 ~   antiarrhythmic agent
Endralazine 0.526 *   treatment of hypertension
Enoximone 0.357     treatment of congestive heart failure
Ensaculin 0.463 ~   treatment of dementia
Entacapone 0.285     treatment of Parkinson's disease
Entecavir 0.167     treatment of hepatitis B
Epalrestat 0.383     treatment of diabetic neuropathy
Eperisone (R/S) 0.463 / 0.518 *   antispasmodic drug
Epinastine (R/S) 0.344 / 0.405     antihistamine
Epirizole 0.182     NSAID
Epirubicin 0.422 ~   chemotherapeutic drug
Eplerenone 0.163     treatment of chronic heart failure
Eprosartan (cis/trans) 0.306 / 0.264     treatment of high blood pressure
Eprazinone (RR/RS/SR/SS) 0.557 / 0.524 / 0.534 / 0.552 *   mucolytic drug
Erdosteine (R/S) 0.239 / 0.168     mucolytic drug
Ergonovine 0.528     medical use in obstetrics
Esmolol (R/S) 0.598 / 0.564 *   β1-receptor blocker
Estazolam 0.532     anxiolytic, anticonvulsant, sedative
Estramustine 0.569 *   treatment of prostate cancer
Estrone sulfate 0.262     sulfated estrone (estrogenic hormone)
Etacrynic acid 0.482 ~   loop diuretic
Etafedrine (RR/RS/SR/SS) 0.365 / 0.416 / 0.331 / 0.374     bronchodilator
Etafenone 0.516 *   vasodilator
Etamivan 0.383     respiratory stimulant
Etaqualone 0.357     sedative and hypnotic properties
Etazolate 0.245     anxiolytic drug
Ethadione 0.199     anticonvulsant
Ethenzamide 0.256     analgesic, NSAID
Ethinamate 0.190     sedative-hypnotic medication
Ethinylestradiol 0.657 ** ERβ oral contraceptive
Ethisterone 0.570 *   progestogen hormone
Ethoheptazine (R/S) 0.514 / 0.398 *   opioid analgesic
Ethosuximide (R/S) 0.103 / 0.106     anticonvulsant
Ethotoin (R/S) 0.269 / 0.313     anticonvulsant
Ethoxzolamide 0.373     treatment of glaucoma
Ethylbiscoumacetate 0.191     vitamin K antagonist
Ethylloflazepate (R/S) 0.493 / 0.437 ~   anxiolytic, anticonvulsant, sedative
Eticyclidine 0.377     anesthetic, hallucinogenic
Etidocaine (R/S) 0.364 / 0.340     local anesthetic
Etifoxine (R/S) 0.414 / 0.413 ~   anxiolytic, anticonvulsant
Etilefrine (R/S) 0.340 / 0.327     cardiac stimulant
Etiracetam (R/S) 0.305 / 0.319     nootropic: mild side effects
Etizolam 0.395     amnesic, anxiolytic, anticonvulsant, hypnotic, sedative
Etodolac (R/S) 0.360 / 0.294     NSAID
Etofamide 0.532 *   antiprotozoal drug
Etofenamate 0.564 *   treatment of joint and muscular pain
Etofibrate 0.448 ~   hybrid drug: clofibrate and niacin
Etomidate 0.394     general anesthetic, sedative
Etonitazene 0.525 *   analgesic
Etonogestrel 0.562 *   hormonal contraceptive
Etoperidone 0.413 ~   antidepressant
Etoricoxib 0.432 ~   COX-2 selective inhibitor
Etoxadrol 0.472 ~   dissociative anesthetic
Etravirine 0.102     treatment of HIV
Etretinate 0.528 *   treatment of severe psioriasis
Etybenzatropine 0.303     treatment of Parkinson's disease
Etymemazine (R/S) 0.429 / 0.428 ~   antihistamine
Eupatilin 0.437 ~   treatment of acid-related disorders
Exemestane 0.472 ~   treatment of breast cancer
Fadrozole (R/S) 0.424 / 0.433 ~   treatment of breast cancer
Falipamil 0.204     calcium channel blocker
Famciclovir 0.326     antiviral drug
Famotidine 0.072     treatment of peptic ulcer disease
Fananserin 0.474 ~   sedative, antipsychotic
Fasoracetam (R/S) 0.352 / 0.361     nootropic
Fasudil 0.499 ~   treatment of cerebral vasospasm
Febuxostat 0.476 ~   treatment of hyperuricemia
Fedrilate (R/S) 0.553 / 0.496 *   cough suppressant
Felbamate 0.395     anticonvulsant
Felbinac 0.513     NSAID
Felodipine 0.201     calcium channel blocker
Femoxetine 0.537 *   antidepressant
Fenbendazole 0.405 ~   anthelmintic agent
Fenbufen 0.545 *   NSAID
Fendiline (R/S) 0.576 / 0.526 *   calcium channel blocker
Fenethylline (R/S) 0.356 / 0.404     stimulant drug
Fenobam 0.095     anxiolytic drug
Fenoldopam (R/S) 0.554 / 0.525 *   dopamine D1A receptor agonist
Fenoprofen (R/S) 0.495/ 0.469 ~   NSAID
Fenoterol (RR/RS/SR/SS) 0.392 / 0.535 / 0.430 / 0.450 *   asthma medication
Fenoverine 0.554 *   antispasmodic drug
Fenoxazoline 0.401 ~   nasal preparation
Fenozolone (R/S) 0.306 / 0.326     stimulant drug
Fenpiprane 0.537 *   treatment of gastrointestinal disorders
Fenproporex (R/S) 0.411 / 0.373 ~   appetite suppressant
Fenquizone (R/S) 0.281 / 0.359     diuretic
Fenretinide 0.519 *   treatment of cancer, cystic fibrosis, arthritis, acne, psoriasis
Fenspiride 0.522 *   treatment of certain respiratory diseases
Fentanyl 0.564 *   opioid analgesic
Fentiazac 0.578 *   treatment of joint and muscular pain
Fenticonazole (R/S) 0.568 / 0.579 *   antifungal drug
Feprazone 0.424 ~   treatment of joint and muscular pain
Fexofenadine (R/S) 0.359 / 0.494     antihistamine
Finasteride 0.237     antiandrogen: birth defects, depression
Fipexide 0.568 *   nootropic (senile dementia): adverse reactions, out of use
Flavoxate 0.475 ~   anticholinergic drug; muscle relaxant
Flecainide 0.505 *   antiarryhthmic agent
Fleroxacin 0.368     antibacterial drug
Flesinoxan 0.563 *   anxiolytic drug
Fletazepam 0.507     sedative, anxiolytic
Flibanserin 0.399     antidepressant; lifestyle drug
Flopropione 0.136     antispasmodic drug
Florantyrone 0.591 *   treatment of biliary dyskinesia
Florfenicol 0.545 *   treatment of bovine respiratory disease
Flosequinan 0.322     vasodilator
Fluacizine 0.413 ~   antidepressant
Flubendazole 0.339     anthelmintic
Fluconazole 0.413 ~   antifungal drug
Fludiazepam 0.389     anxiolytic, anticonvulsant, sedative
Fludorex (R/S) 0.380 / 0.374     appetite suppressant
Fludrocortisone 0.662 ** GR synthetic corticosteroid
Fludroxycortide 0.542 *   synthetic steroid (anti-inflammatory drug)
Flufenamic acid 0.450 ~   NSAID
Fluindione 0.328     vitamin K antagonist
Flumazenil 0.434 ~   benzodiazepine antidote
Flumedroxone 0.558 *   corticosteroid (treatment of migraine)
Flumetasone 0.676 ** GR corticosteroid (treatment of otitis externa)
Fluminorex (R/S) 0.471 / 0.392 ~   appetite suppressant
Flunarizine 0.575 *   prophylaxis of migraine
Flunisolide 0.521     corticosteroid (treatment of allergic rhinitis)
Flunixin 0.313     NSAID
Flunoxaprofen 0.465 ~   NSAID
Fluocortin 0.405 ~   corticosteroid
Fluocortolone 0.666 ** GR glucocorticoid (treatment of hemorrhoids)
Fluorometholone 0.617 ** GR corticosteroid (used after laser-based refractive surgery)
Fluorouracil 0.082     antimetabolite (cancer treatment)
Flupentixol (E/Z) 0.641 / 0.665 ** ERβ antipsychotic drug
Fluphenazine 0.655 ** hERG antipsychotic drug
Flupirtine 0.514 *   analgesic
Fluproquazone 0.475 ~   analgesic, antipyretic, anti-inflammatory
Flurbiprofen (R/S) 0.482 / 0.492 ~   NSAID
Fluspirilene 0.374     treatment of schizophrenia
Flutamide 0.491 ~   antiandrogen, treatment of prostate cancer
Flutazolam (R/S) 0.575 / 0.592 *   sedative, muscle relaxant, anticonvulsant, anxiolytic
Flutemazepam (R/S) 0.494 / 0.534 *   sedative, anxiolytic
Flutoprazepam 0.557 *   sedative, hypnotic, anxiolytic, anticonvulsant
Flutrimazole (R/S) 0.577 / 0.607 ** 2D6+3A4 antifungal agent
Folinic acid (RR/SR) 0.054 / 0.042     adjuvant used in cancer chemotherapy
Formestane 0.510     treatment of breast cancer
Formoterol (RR/RS/SR/SS) 0.461 / 0.554 / 0.558 / 0.487 *   treatment of asthma
Forodesine 0.360     treatment of chronic lymphocytic leukemia
Fosazepam 0.451 ~   sedative, anxiolytic
Fosfestrol (extremely charged: –4) 0.082     antienoplastic agent
Fosinopril 0.270     treatment of hypertension
Fosphenytoin 0.430 ~   treatment of epileptic seizures
Frovatriptan 0.457 ~   treatment of migraine headaches
Furethidine (R/S) 0.413 / 0.437 ~   opioid analgesic
Furfenorex (R/S) 0.412 / 0.308     appetite suppressant
Furosemide 0.289     loop diuretic: renal toxicity in rats
Gabapentin 0.301     treatment of epilepsy
Gabexate 0.087     treatment of pancreatitis
Gaboxadol 0.220     experimental sleeping pill
Gacyclidine 0.241     neuroprotective agent
Galantamine 0.198     treatment of Alzheimer's disease: gastrointestinal syndromes
Gallamine (highly charged: +3) 0.200     muscle relaxant
Gallopamil (R/S) 0.481 / 0.270 ~   calcium channel blocker
Ganaxolone 0.485 ~   sedative, anxiolytic, anticonvulsant
Ganciclovir 0.129     antiviral drug
Gapicomine 0.247     coronary vasodilator
Gedocarnil 0.531 *   anxiolytic drug
Gefitinib 0.524 *   treatment of certain types of cancer
Gemfibrozil 0.551 *   lipid-level lowering drug
Gepefrine (R/S) 0.309 / 0.318     cardiac stimulant
Gestodene 0.621 ** ERβ+PR hormonal contraceptive
Gilutensin 0.454 ~   treatment of hypotension
Girisopam 0.531 *   anxiolytic drug
Glibenclamide 0.222     antidiabetic drug
Glimepiride 0.140     antidiabetic drug
Glipizide 0.129     antidiabetic drug
Gliquidone 0.233     antidiabetic drug
Glutethimide (R/S) 0.304 / 0.334     hypnotic sedative
Glyclopyramide 0.375     antidiabetic drug
Granisetron 0.084     treatment of nausea and vomiting following chemotherapy
Griseofulvin 0.145     antifungal drug
Guaifenesin (R/S) 0.473 / 0.471 ~   expectorant drug
Guanabenz 0.117     antihypertensive drug
Guanadrel (R/S) 0.187 / 0.119     antihypertensive agent
Guanoxan (R/S) 0.124 / 0.110     sympatholytic drug
Halazepam 0.478 ~   anxiolytic, anticonvulsant, sedative, muscle relaxant
Halcinonide 0.487 ~   corticosteroid (treatment of certain skin conditions)
Halofantrine (R/S) 0.638 / 0.528 ** GR treatment of malaria
Halofuginone 0.572 *   coccidiostat
Halometasone 0.696 ** GR corticosteroid
Haloperidol 0.435 ~   treatment of schizophrenia
Haloprogin 0.421 ~   treatment of athlete's foot and other fungal infections
Haloxazolam (R/S) 0.428 / 0.427 ~   anxiolytic
Hexacyclonate 0.308     treatment of hyperlipoproteinemia
Hexapropymate 0.228     hypnotic/sedative drug
Hexobarbital (R/S) 0.211 / 0.152     hypnotic/sedative agent
Hexylcaine (R/S) 0.512 / 0.464 *   local anesthetic
Hexylresorcinol 0.443 ~   anesthetic, antiseptic, antihelmintic
Histapyrrodine 0.528 *   antihistamine with anticholinergic properties
Homochlorcyclizine (R/S) 0.532 / 0.553     antiallergic drug
Huperzine A 0.396     neuroprotective effects: low toxicity
Hycanthone 0.534 *   schistosomicide
Hydralazine 0.240     vasodilator
Hydrochlorothiazide 0.046     diuretic drug
Hydrocodone 0.191     semi-synthetic opioid
Hydroflumethiazide 0.051     diuretic
Hydromorphinol 0.482 ~   morphine derivative (sedative, analgesic)
Hydroxychloroquine (R/S) 0.311 / 0.367     antimalarial drug
Hydroxydione 0.544 *   general anesthetic
Hydroxypethidine 0.493 ~   opioid analgesic
Hydroxyurea 0.013     antienoplastic drug
Hydroxyzine (R/S) 0.663 / 0.683 ** GR first-generation antihistamine
Hymecromone 0.275     used in bile therapy
Ibopamine 0.403 ~   sympathomimetic
Ibudilast 0.436 ~   anti-inflammatory drug
Ibuprofen (R/S) 0.449/ 0.443 ~   NSAID; treatment of arthritis, fewer
Ibuproxam (R/S) 0.384 / 0.465     NSAID
Iclaprim (R/S) 0.284 / 0.375     treatment of skin and tissue infections
Iclazepam 0.519 *   sedative, anxiolytic
Idazoxan (R/S) 0.487 / 0.467 ~   antidepressant (not marketed)
Idoxuridine 0.220     antiviral drug
Ifenprodil (RR/RS/SR/SS) 0.482 / 0.513 / 0.589 / 0.536 *   selective inhibitor of the NMDA receptor
Iloperidone 0.463 ~   investigational antipsychotic
Imatinib 0.276     treatment of CML and GISTs: various side effects
Imidafenacin 0.584 *   urinary antispasmodic
Imidapril 0.333     antihypertensive
Imiquimod 0.352     immune-response modifier
Imolamine 0.394     vasodilator
Impromidine 0.266     histamine H2 receptor agonist
Imuracetam 0.109     nootropic drug
Inamrinone 0.288     treatment of congestive heart failure
Indanorex (R/S) 0.417 / 0.368 ~   appetite suppressant
Indapamide (R/S) 0.520 / 0.568 *   diuretic
Indatraline 0.495 *   monoamine reuptake inhibitor
Indecainide 0.607 ** hERG antiarrhythmic agent
Indeloxazine 0.521 *   antidepressant, anticonvulsant
Indinavir 0.512 *   treatment of HIV infection and AIDS
Indobufen (R/S) 0.488 / 0.518 *   platelet aggregation inhibitor
Indomethazine 0.534 *   NSAID
Indoprofen (R/S) 0.451 / 0.520 *   NSAID
Indoramin 0.336     α-1 selective adrenoreceptor antagonist
Iprazochrome (R/S) 0.080 / 0.110     antimigraine agent
Ipriflavone 0.524 *   prevention of osteoporosis
Iprindole 0.485 ~   antidepressant
Iproclozide 0.309     antidepressant
Iproniazid 0.327     antidepressant
Ipsapirone 0.451 ~   anxiolytic
Irinotecan 0.205     treatment of colon cancer
Irosustat 0.307     steroid-sulfatase inhibitor; discontinued
Isavuconazole 0.657 ** 3A4 antifungal drug
Isoaminile (RR/RS/SR/SS) 0.367 / 0.362 / 0.327 / 0.383     cough suppressant
Isobromindione 0.332     treatment of gout
Isocarboxazid 0.467 ~   treatment of resistant depression
Isoconazole (R/S) 0.557 / 0.594 *   antifungal drug
Isoetarine (RR/RS/SR/SS) 0.465 / 0.488 / 0.477 / 0.438 ~   β2-receptor antagonist
Isoprenaline (R/S) 0.422 / 0.467 ~   sympathomimetic
Isosorbide mononitrate 0.271     treatment of angina pectoris
Isothipendyl (R/S) 0.360 / 0.279     antipruritic drug
Isotretinoin 0.541 *   retinoid; treatment of severe acne
Ispronicline 0.329     treatment of dementia and Alzheimer's disease: well tolerated
Isradipine 0.282     treatment of high blood pressure
Istradefylline 0.367     treatment of Parkinson's disease
Itopride 0.342     treatment of functional dispepsia
Ivabradine 0.436 ~   antianginal drug
Kebuzone 0.439 ~   NSAID
Ketamine (R/S) 0.344 / 0.347     analgesic, anesthetic
Ketanserin 0.306     antihypertensive
Ketazolam (R/S) 0.340 / 0.357     anxiolytic, anticonvulsant, sedative, muscle relaxant
Ketobemidone 0.491 ~   treatment of severe pain
Ketoconazole 0.595 *   antifungal drug
Ketoprofen (R/S) 0.552 / 0.498 *   NSAID
Ketorolac (R/S) 0.459 / 0.444 ~   NSAID
15-Ketosterol 0.535 *   potential anti-atherosclerotic agent
Ketotifen 0.538 *   treatment of allergic reactions; prevention of asthma attacks
Lamotrigine 0.253     anticonvulsant drug
Latanoprost 0.522 *   treatment of glaucoma, ocular hypertension
Lefetamine 0.401 ~   psychoactive drug (stimulant and analgesic)
Leflunomide 0.402 ~   treatment of rheumatoid and psoriatic arthritis
Lerisetron 0.482 ~   antinauseant
Letrozole 0.554 *   treatment of hormonally-responsive breast cancer
Levallorphan 0.431 ~   general anesthetic
Levetiracetam 0.345     treatment of epilepsy
Levobunolol (S) 0.495 ~   beta blocker, treatment of glaucoma
Levobupivacaine 0.447 ~   local anesthetic
Levocabastine 0.360     treatment of allergic conjunctivitis
Levocetirizine 0.479 ~   non-sedative antihistamine
Levodropropizine 0.589 *   cough suppressant
Levomepromazine 0.424 ~   neuroleptic drug
Levonantradol 0.426 ~   antiemetic, analgesic
Levonordefrin 0.459 ~   topical nasal decongestant
Levonorgestrel 0.576 *   hormonal contraceptive
Levorphanol 0.336     opioid medication: treatment of severe pain
Levosimendan 0.093     treatment of congestive heart failure
Levothyroxine 0.512 *   treatment of hyperthyroidism
Lidocaine 0.289     local anesthetic
Lidoflazine 0.599 *   calcium channel blocker
Linopirdine 0.587 *   psychostimulant, nootropic
Liothyronine 0.702 *** TRα thyroid hormone: various side effects
Lisinopril 0.419 ~   treatment of hypertension, congestive heart failure
Lobenzarit 0.199     treatment of arthritis
Lofendazam 0.443 ~   sedative, anxiolytic
Lofentanil 0.368     opioid analgesic
Lofexidine (R/S) 0.470 / 0.447 ~   short-acting antihypertensive
Lomerizine 0.565 *   treatment of migraine
Lomustine 0.173     chemotherapeutic agent
Lonazolac 0.381     NSAID
Lonidamine 0.543 *   chemotherapeutic agent
Loperamide 0.575 *   treatment of diarrhea
Lopirazepam (R/S) 0.464 / 0.526 *   anxiolytic, hypnotic properties (never marketed)
Loprazolam 0.408 ~   anxiolytic, anticonvulsant, sedative, muscle relaxant
Loratadine 0.482 ~   antiallergic, non-sedating
Lorcainide 0.439 ~   antiarrhythmic agent
Loreclezole 0.530 *   sedative, anticonvulsant
Lornoxicam 0.076     NSAID
Losartan 0.650 ** 3A4 treatment of hypertension
Loviride (R/S) 0.413 / 0.461 ~   treatment of HIV
Loxapine 0.575 *   treatment of schizophrenia
Loxoprofen (RR/RS/SR/SS) 0.532 / 0.396 / 0.438 / 0.463 *   NSAID
Lubeluzole (R/S) 0.552 / 0.535 *   treatment of stroke
Lumefantrine (RE/RZ/SE/SZ) 0.528 / 0.556 / 0.560 / 0.568 *   antimalarial drug
Lurosetron 0.509 *   serotonin 5-HT3 receptor antagonist
Mabuterol (R/S) 0.360 / 0.333     β-adrenergic agonist
Malotilate 0.207     treatment of liver disease
Manidipine 0.356     calcium channel blocker
Maprotiline 0.493 ~   antidepressant drug
Masoprocol 0.634 ** AR+ERβ antienoplastic drug
Mazindol (R/S) 0.544 / 0.497     CNS stimulant
Mebendazole 0.412 ~   treatment of worm infestations
Mebeverine (R/S) 0.356 / 0.313     antispasmodic drug
Mebhydrolin 0.493 ~   antihistamine
Mebutamate (R/S) 0.350 / 0.367     sedative, anxiolytic with antihypertensive effects
Mecamylamine 0.156     treatment of hypertension
Meclizine (R/S) 0.572 / 0.566 *   antihistamine
Meclofenamic acid 0.375     treatment of joint and muscular pain
Meclonazepam 0.392     sedative, anxiolytic
Mecloqualone 0.384     sedative, hypnotic, anxiolytic
Medazepam 0.520 *   anxiolytic, anticonvulsant, sedative, muscle relaxant
Medetomidine (R/S) 0.469 / 0.475 ~   surgical anesthetic and analgesic
Medifoxamine 0.527 *   antidepressant
Medrysone 0.570 *   synthetic corticosteroid used in ophthalmology
Mefenamic acid 0.406 ~   NSAID
Mefenorex (R/S) 0.368 / 0.410     appetite suppressant
Mefloquine (RR/RS/SR/SS) 0.460 / 0.532 / 0.484 / 0.454 *   antimalarial drug
Mefruside 0.534 *   treatment of edema and hypertension
Megestrol 0.561 *   treatment of advanced breast/endometrium carcinoma
Meladrazine 0.308     antispasmodic used in urology
Melitracen 0.442 ~   antidepressant
Meloxicam 0.390     NSAID
Melperone 0.341     antipsychotic drug
Melphalan (R/S) 0.552 / 0.566 *   chemotherapeutic drug
Menitrazepam 0.552 *   sedative, anticonvulsant, muscle relaxant, anxiolytic
Mephenesin (R/S) 0.447 / 0.432 ~   muscle relaxant
Mephenoxalone (R/S) 0.416 / 0.395 ~   anxiolytic drug
Mephentermine 0.263     cardiac stimulant
Mephenytoin (R/S) 0.343 / 0.284     anticonvulsant
Mepitiostane 0.485 ~   anabolic steroid
Mepivacaine 0.394     local anesthetic
Mepixanox 0.569 *   respiratory stimulant
Meprobamate 0.310     anxiolytic drug
Meprotixol (R/S) 0.396 / 0.359     cough suppressant
Meprylcaine 0.343     local anesthetic
Meptazinol (R/S) 0.450 / 0.336 ~   opioid analgesic used in obstetrics
Mepyramine 0.422 ~   first-generation antihistamine
Mequinol 0.221     treatment of liver spots
Mequitazine 0.203     antihistamine
Mercaptopurine 0.171     immunosuppressive drug
Mesalazine 0.233     NSAID
Mesoridazine (R/S) 0.450 / 0.525 *   treatment of schizophrenia
Mestanolone 0.572 *   17α-methylated version of DHT
Mesterolone 0.570 *   orally applicable androgen (DHT derivative)
Mestranol 0.536 *   oral contraceptive
Mesuximide (R/S) 0.337 / 0.328     anticonvulsant
Metaclazepam (R/S) 0.374 / 0.446     anxiolytic drug
Metamizole 0.449 ~   NSAID; powerful painkiller, fewer reducer
Metaraminol 0.418 ~   treatment of hypotension
Metaxalone (R/S) 0.398 / 0.355     muscle relaxant
Metenolone 0.552 *   anabolic steroid
Methandriole 0.602 ** AR+ERβ anabolic steroid
Methapyrilene 0.382     antihistamine with sedative effects
Metharbital 0.114     anticonvulsant
Methazolamide 0.153     treatment of glaucoma
Methcathinone (R/S) 0.326 / 0.320     psychoactive stimulant
Methdilazine (R/S) 0.500 / 0.457 ~   antihistamine
Methimazole 0.089     antithyroid drug
Methocarbamol (R/S) 0.452 / 0.420 ~   treatment of muscle spasms
Methoxamine (RR/RS/SR/SS) 0.428 / 0.465 / 0.426 / 0.430 ~   treatment of supraventicular tachycardia
Methotrexate 0.170     antifolate drug
Methoxsalen 0.449 ~   treatment of psoriasis, eczema
Methoxyphedrine (R/S) 0.395 / 0.363     stimulant drug
Methoxyphenamine (R/S) 0.259 / 0.326     NSAID
Methyldopa 0.308     antihypertensive drug
Methylpentynol (R/S) 0.080 / 0.093     hypnotic/sedative with anticonvulsant effects
Methylphenobarbital (R/S) 0.275 / 0.219     sedative, anxiolytic, anticonvulsant
Methylprednisolone 0.601 ** GR treatment of bronchial inflammation or acute bronchitis
Methysergide 0.577 *   treatment of migraine headaches
Meticrane 0.265     diuretic drug
Metirosine 0.241     antihypertensive drug
Metitepine (R/S) 0.517 / 0.459 *   antipsychotic drug
Metixene 0.470 ~   anti-parkinson drug
Metizoline 0.409 ~   nasal preparation
Metoclopramide 0.383     antiemetic drug
Metolazone (R/S) 0.349 / 0.420     thiazide diuretic
Metyrapone 0.307     treatment of hypercortisolism
Mexiletine (R/S) 0.335 / 0.305     antiarrhythmic agent
Mianserin (R/S) 0.355 / 0.369     antidepressant with antihistaminic/hypnosedative effects
Mibolerone 0.527 *   potent anabolic steroid
Miconazole 0.641 ** 3A4+2D6+2C9 antifungal agent
Midazolam 0.403 ~   anxiolytic, amnesic, hypnotic, anticonvulsant
Miglitol 0.391     antidiabetic drug
Miglustat 0.446     treatment of Type 1 Gaucher disease
Milnacipran 0.462 ~   antidepressant
Milrinone 0.195     management of heart failure
Minaprine 0.552 *   antidepressant
Minaxolone 0.318     general anesthetic
Mirfentanil 0.535 *   analgesic (μ-opioid receptor antagonist)
Miroprofen (R/S) 0.484 / 0.459 ~   NSAID
Misoprostol 0.559 *   prevention of NSAID-induced gastric ulcers; abortifacient
Mitiglinide 0.466 ~   treatment of type-2 diabetes
Mitotane (R/S) 0.515 / 0.528 *   treatment of adrenocortical carcinoma
Mitoxantrone 0.283     antienoplastic agent
Mitozolomide 0.216     antienoplastic agent
Mivazerol 0.361     α-adrenergic agonist
Mizolastine 0.424 ~   non-sedating antihistamine
Mizoribine 0.101     immunosuppressive drug
Mofebutazone (R/S) 0.363 / 0.406     treatment of joint and muscular pain
Mofezolac 0.337     NSAID
Molindone (R/S) 0.491 / 0.476 ~   treatment of schizophrenia
Mometasone furoate 0.620 ** GR treatment of eczema, psoriasis, hay fewer, asthma
Monatepil (R/S) 0.347 / 0.420     calcium channel blocker
Monobenzone 0.481 ~   topical drug for medical depigmentation
Morclofone 0.596 *   cough suppressant
Moricizine 0.446 ~   antiarrhythmic drug
Morinamide 0.288     treatment of tuberculosis
Morniflumate 0.431 ~   NSAID
Morpheridine 0.532 *   opioid analgesic drug
Morphine 0.398     opioid analgesic drug: neurotoxic
Mosapramine (R/S) 0.467 / 0.202 *   antipsychotic drug
Mosapride 0.548 *   treatment of irritable bowel syndrome
Moxastine 0.448 ~   antihistamine
Moxaverine 0.451 ~   treatment of gastrointestinal disorders
Moxisylyte 0.343     treatment of erectile dysfunction
Moxonidine 0.295     antihypertensive drug
Mozavaptan (R/S) 0.260 / 0.354     treatment of hyponatremia
Muzolimine (R/S) 0.439 / 0.442 ~   diuretic drug
Mycophenolic acid 0.349     immunosuppressant drug
Nabilone 0.452 ~   synthetic cannabinoid
Nabumetone 0.418 ~   NSAID
Nadolol (R/S) 0.448 / 0.492 ~   treatment of high blood pressure, migraine and chest pain
Nafamostat 0.070     anticoagulant
Naftifine 0.525 *   antifungal drug
Naftopidil (R/S) 0.618 / 0.608 ** AhR treatment of high blood pressure
Nalbuphine 0.537 *   synthetic opioid (analgesic)
Nalidixic acid 0.188     bacteriostatic
Naloxone 0.395     treatment of opioid overdose
Naltrexone 0.275     management of alcohol/opioid dependence
Naphazoline 0.375     vasoconstrictor
Naproxen (R/S) 0.408 / 0.407 ~   NSAID: gastrointestinal disturbances
Naratriptan 0.535 *   treatment of migraine headaches
Nateglinide 0.588 *   treatment of type 2 diabetes
Nealbarbital 0.116     sedative, hypnotic
Nebracetam (R/S) 0.428 / 0.490 ~   antidepressant
Necopidem 0.378     sedative, anxiolytic
Nedocromil 0.241     treatment of asthma
Nefazodone 0.279     antidepressant; withdrawn
Nefiracetam 0.356     nootropic: testicular toxicity in rats
Nefopam (R/S) 0.397 / 0.386     analgesic drug
Neltenexine 0.418 ~   mucolytic drug
Nepafenac 0.425 ~   NSAID
Nepicastat 0.479 ~   treatment of congestive heart failure
Nepinalone (R/S) 0.396 / 0.390     cough suppressant
Nerisopam 0.510 *   anxiolytic, neuroleptic
Neticonazole 0.409 ~   antifungal drug
Nevirapine 0.240     treatment of HIV infections and AIDS
Nialamide 0.513 *   antidepressant
Niaprazine (R/S) 0.446 / 0.357 ~   sedating antihistamine
Nicardipine (R/S) 0.265 / 0.363     treatment of high blood pressure and angina
Nicergoline 0.537 *   treatment of senile dementia
Niclosamide 0.357     anthelmintic drug (teniacide)
Nicorandil 0.343     treatment of angina
Nifedipine 0.253     calcium-channel blocker; antianginal: mild side effects
Nifekalant 0.391     anti-arrhythmic agent
Nifenazone 0.356     treatment of joint and muscular pain
Niflumic acid 0.445 ~   treatment of joint and muscular pain
Nifuratel (R/S) 0.453 / 0.315 ~   drug used in gynecology
Nifuroxazide 0.366     treatment of colitis and diarrhea
Nifurtimox (R/S) 0.176 / 0.222     treatment of Chagas disease and sleeping sickness
Nifurtoinol 0.283     treatment of urinary tract infections
Nifurzide 0.335     anti-infective agent
Nilutamide 0.353     treatment of prostate cancer
Nilvadipine (R/S) 0.277 / 0.262     calcium-channel blocker
Nimetazepam 0.460 ~   powerful hypnotic drug
Nimodipine (R/S) 0.213 / 0.456     calcium-channel blocker
Nimorazole 0.450 ~   antiinfective agent
Niperotidine (E/Z) 0.087 / 0.073     antihistamine
Niridazole 0.207     schistosomicide
Nisoxetine (R/S) 0.512 / 0.544 *   antidepressant
Nitazoxanide 0.280     antiprotozoal agent
Nitisinone 0.269     treatment of hereditary tyrosinemia type 1
Nitrazepam 0.518 *   powerful hypnotic drug
Nitroxoline 0.258     antibiotic drug
Nizofenone 0.519 *   psychostimulant, nootropic
Nocodazole 0.357     antienoplastic agent
Nolatrexed 0.191     thymidylate synthase inhibitor
Nonabine (RR/RS/SR/SS) 0.460 / 0.277 / 0.297 / 0.322 ~   antiemetic drug
Norcodeine 0.358     opiate analogue
Nordazepam 0.437 ~   anticonvulsant, anxiolytic, muscle relaxant, sedative
Norfenefrine (R/S) 0.407 / 0.412 ~   cardiac stimulant
Norgestimate 0.463 ~   hormonal contraceptive
Norgestrienone 0.587 *   progestogen hormone
Normethadone 0.497 ~   cough suppressant
Normorphine 0.474 ~   major metabolite of morphine
Ocfentanil 0.385     opioid analgesic
Ocinaplon 0.492 ~   anxiolytic drug
Octodrine (R/S) 0.243 / 0.254     stimulant drug
Olopatadine 0.402 ~   antihistamine
Olprinone 0.264     cardiotonic agent
Olsalazine 0.122     treatment of inflammatory bowel disease
Oltipraz 0.277     schistosomicide
Omapatrilat 0.443 ~   antihypertensive agent
Omoconazole 0.524 *   antifungal drug
Ondansetron (R/S) 0.501 / 0.478     antiemetic: few side effects
Opipramol 0.517 *   anxiolytic drug
Orciprenaline (R/S) 0.357 / 0.366     bronchodilator
Ormeloxifene 0.446 ~   non-steroidal oral contraceptive
Ornidazole (R/S) 0.292 / 0.314     treatment of protozoan infections (poultry industry)
Orphenadrine (R/S) 0.387 / 0.344     anticholinergic drug
Oseltamivir (prodrug/drug: carboxylate) 0.445 / 0.340 ~   antiviral drug: several adverse reactions
Oxabolone 0.517 *   anabolic steroid
Oxaceprol 0.227     NSAID (treatment of osteoarthritis)
Oxametacin 0.554 *   NSAID
Oxamniquine (R/S) 0.482 / 0.288 ~   antihelmintic with schistosomicidal activity
Oxantel 0.373     antihelmintic
Oxaprotiline (R/S) 0.516 / 0.571 *   antidepressant
Oxaprozin 0.589 *   NSAID
Oxatomide 0.391     antihistamine
Oxazepam (R/S) 0.567 / 0.551 *   anxiolytic, anticonvulsant, sedative
Oxcarbazepine 0.300     anticonvulsant
Oxetorone 0.480 ~   antimigraine agent
Oxibendazole 0.213     treatment of worm infestations in horses and pets
Oxiconazole 0.748 *** 3A4 antifungal medication
Oxidopamine 0.328     dopamine derivative (neurotransmitter analogue)
Oxilorphan 0.440 ~   opioid antagonist
Oxiracetam (R/S) 0.214 / 0.231     nootropic: safe compound, not toxic
Oxodipine 0.244     calcium channel blocker
Oxolamine 0.395     cough suppressant
Oxomemazine (R/S) 0.327 / 0.314     antihistamine
Oxpheneridine (R/S) 0.601 / 0.471 ** GR opioid analgesic
Oxprenolol (R/S) 0.506 / 0.515 *   treatment of angina pectoris
Oxybutynin (R/S) 0.523 / 0.566 *   anticholinergic medication
Oxycinchophen 0.347     antirheumatic agent
Oxyclozanide 0.255     antihelmintic agent
Oxycodone 0.277     opioid analgesic
Oxyfedrine (RR/RS/SR/SS) 0.643 / 0.574 / 0.634 / 0.632 ** hERG vasodilator
Oxymetazoline 0.379     decongestant
Oxymorphone 0.460 ~   semi-synthetic opioid analgesic
Oxypertine 0.494 ~   antipsychotic
Oxyphenbutazone (R/S) 0.474 / 0.459 ~   antiemetic: few side effects
Oxyphencyclimine (R/S) 0.486 / 0.533 *   antimuscarinic drug
Oxyphenisatine 0.458 ~   laxative
Ozagrel 0.423 ~   improvement of motor coordination
Pagoclone (R/S) 0.310 / 0.353     anxiolytic drug
Paliperidone (R/S) 0.551 / 0.501 *   atypical antipsychotic
Palonosetron 0.208     treatment of chemotherapy-induced nausea and vomiting
Pamaquine (R/S) 0.502 / 0.415     treatment of malaria
Panadiplon 0.445 ~   anxiolytic drug
Paracetamol 0.220     analgesic drug, antipyretic: non carcinogenic
Parahydroxyamphetamine (R/S) 0.324 / 0.267     nervous stimulant (alkaloid; occurs also in plants)
Paramethadione (R/S) 0.180 / 0.202     anticonvulsant
Paramethasone 0.668 ** GR anti-inflammatory drug
Pargyline 0.242     antihypertensive drug
Pefloxacin 0.409 ~   treatment of life-threatening bacterial infections
Pemirolast 0.341     anti-allergic drug
Pempidine 0.087     ganglionic blocker
Penbutolol (R/S) 0.513 / 0.510     treatment of high blood pressure
Penciclovir 0.137     treatment of herpes virus infections
Penicillamine 0.176     pharmaceutical chelator
Pentamidine 0.038     antimicrobal medication
Pentifylline 0.266     vasodilator
Pentoxifylline 0.378     treatment of intermittent claudication and vascular dementia
Pentoxyverine 0.528 *   cough suppressant
Pergolide 0.434 ~   treatment of Parkinsons's disease
Perhexiline (R/S) 0.589 / 0.583 *   antianginal agent: frequent adverse effects
Periciazine 0.529 *   antipsychotic drug
Perospirone 0.612 ** hERG antipsychotic drug
Perphenazine 0.658 ** hERG antipsychotic drug
Pethidine 0.343     analgesic drug
Phanquinone 0.356     antiprotozoal agent
Phenacemide 0.078     anticonvulsant
Phenacetin 0.203     analgesic
Phenadoxone (R/S) 0.663 / 0.562 ** AhR opioid analgesic
Phenampromide (R/S) 0.429 / 0.416 ~   opioid analgesic
Phenazone 0.326     analgesic: hepatotoxic
Phenazopyridine 0.174     local analgesic (urinary tract infections)
Phencyclidine 0.373     anesthetic agent: hallucinogenic/neurotoxic
Phenelzine 0.386     antidepressant drug
Pheneridine 0.406 ~   opioid analgesic
Pheneturide (R/S) 0.129 / 0.253     anticonvulsant
Phenibut (R/S) 0.334 / 0.285     improvement of neurological functions: low toxicity
Phenindamine (R/S) 0.460 / 0.501 *   antihistamine
Phenindione 0.288     anticoagulant
Pheniprazine (R/S) 0.370 / 0.384     antidepressant
Pheniramine (R/S) 0.434 / 0.360 ~   antihistamine
Phenobarbital 0.150     anticonvulsant
Phenoxybenzamine (R/S) 0.502 / 0.429 *   anti-hypertensive
Phenpentermine (R/S) 0.233 / 0.226     anorectic drug; acts also as diuretic
Phenprobamate 0.402 ~   skeletal muscle relaxant
Phenprocoumon (R/S) 0.357 / 0.318     anticoagulant drug
Phenpromethamine (R/S) 0.265 / 0.264     stimulant drug (banned by the World Antidoping Agency)
Phensuximide (R/S) 0.263 / 0.307     anticonvulsant
Phentolamine 0.562 *   vasodilator
Phenylbutazone 0.397     antiepileptic: teratogen; possibly carcinogenic
Phenylephrine 0.299     decongestant
Phenylpiracetam (R/S) 0.452 / 0.447 ~   nootropic: low toxicity
Phenyltoloxamine 0.357     antihistamine with sedative and analgesic effects
Phenytoin 0.399     antiepileptic: teratogen; possibly carcinogenic
Phetharbital 0.183     anticonvulsant, sedative
Pholcodine 0.469 ~   opioid cough suppressant
Piberaline 0.574 *   stimulant and antidepressant
Picamilon 0.207     nicotinyl-GABA: low toxicity
Picenadol (R/S) 0.433 / 0.418 ~   opioid analgesic
Pidotimod 0.227     immunostimulant
Pilocarpine 0.335     treatment of glaucoma, xerostomia
Pimethixene 0.467 ~   treatment of hyperactivity, anxiety, sleep disorders
Pimobendan (R/S) 0.457 / 0.465 ~   inotropic, vasodilator
Pimozide 0.410 ~   antipsychotic drug
Pinacidil (R/S) 0.075 / 0.055     vasodilator
Pinazepam 0.503 *   anxiolytic, anticonvulsant, sedative, muscle relaxant
Pindolol (R/S) 0.531 / 0.403 *   treatment of angina pectoris and hypertension
Pipazetate 0.367     cough suppressant
Pipequaline 0.514 *   anxiolytic drug
Piperidolate (R/S) 0.521 / 0.580 *   antimuscarinic drug
Piperocaine (R/S) 0.527 / 0.476 *   local anesthetic
Pipradrol 0.565 *   CNS stimulant
Piracetam 0.189     nootropic, dietary supplement: only mild side-effects
Pirbuterol (R/S) 0.307 / 0.378     treatment of asthma
Pirenzepine 0.509     treatment of peptic ulcers
Piretanide 0.315     diuretic
Piribedil 0.539 *   treatment of Parkinson's disease
Pirisudanol 0.386     psychostimulant
Pirlindole (R/S) 0.422 / 0.384 ~   antidepressant
Piroheptine (R/S) 0.483 / 0.450 ~   treatment of Parkinson's disease
Piroxicam 0.216     NSAID
Pirprofen (R/S) 0.428 / 0.420 ~   NSAID
Pizotifen 0.515 *   treatment of migraine headaches
Pleconaril 0.575 *   antiviral drug (asthma)
Polythiazide (R/S) 0.288 / 0.171     diuretic
Practolol (R/S) 0.385 / 0.463     treatment of cardiac arrhythmias
Pramipexole 0.418 ~   treatment of Parkinson's disease
Pramiracetam 0.386     nootropic: safe compound
Pranoprofen (R/S) 0.364 / 0.326     NSAID
Pravadoline 0.537 *   NSAID
Prazepam 0.485 ~   anxiolytic, anticonvulsant, sedative
Praziquantel 0.537 *   anthelmintic effective against flatworms
Prazosin 0.455 ~   antihypertensive: some side effects
Prednicarbate 0.326     topical corticosteroid
Prednisolone 0.648 ** GR active metabolite of Prednisone (treatment of inflammation and AID)
Prednisone 0.563 *   synthetic corticosteroid
Pridinol 0.501 *   muscle relaxant
Prilocaine (R/S) 0.333 / 0.352     local anesthetic
Procarbazine 0.290     antienoplastic agent
Prodine (αaxeqaxeq) 0.426 / 0.425 / 0.348 / 0.433 ~   opioid analgesic
Profenamine (R/S) 0.316 / 0.332     treatment of Parkinson's disease
Proguanil 0.034     prophylactic antimalarial drug
Promethazine (R/S) 0.366/ 0.413     antihistamine, antiemetic, sedative
Propafenone (R/S) 0.632 / 0.618 ** hERG anti-arrhythmic medication
Propofol 0.350     anesthesia agent
Propranolol (R/S) 0.560 / 0.545 *   treatment of hypertension
Propylthiouracil 0.081     treatment of hyperthyroidism
Pseudoephedrine 0.351     decongestant
Pyrantel 0.364     antinematodal agent
Pyrithyldione 0.175     hypnotic, sedative
Pyritinol 0.550 *   treatment of chronically impaired brain function
Pyrovalerone (R/S) 0.423 / 0.395 ~   stimulant drug (fatigue, lethargy); appetite suppressant
Quazepam 0.586 *   treatment of insomnia
Quinbolone 0.521 *   anabolic steroid
Quinestrol 0.596 *   treatment of breast and prostate cancer
Quinethazone (R/S) 0.141 / 0.284     treatment of hypertension
Quinidine 0.083     antiarrhythmic agent
Quinisocaine 0.310     antipruritic agent
Quinpirole 0.391     dopamine D2/D3 receptor agonist
Quipazine 0.360     serotonin receptor agonist (5HT2A,, 5HT3)
Racecadotril (R/S) 0.676 / 0.511 ** 2D6 antidiarrheal drug
Raclopride 0.169     neuroleptic (treatment of schizophrenia)
Rafoxanide 0.391     antiparasitic agent
Ramatroban 0.502 *   treatment of coronary artery disease
Ramipril 0.488 ~   treatment of hypertension
Ramosetron 0.481 ~   treatment of nausea an vomiting
Ranitidine 0.109     treatment of peptic ulcer disease
Ranolazine (R/S) 0.564 / 0.549 *   antianginal medication
Rasagiline 0.320     irreversible MAO inhibitor: safe; possible drug interactions
Razobazam 0.173     produces nootropic effects
Rebamipide (R/S) 0.396 / 0.365     treatment of Behçet's disease
Reclazepam 0.390     sedative, anxiolytic
Remacemide (R/S) 0.552 / 0.548 *   sodium channel blocker
Remoxipride 0.375     antipsychotic drug
Rentiapril 0.220     ACE inhibitor
Renzapride 0.312     treatment of irritable bowel syndrome
Repirinast 0.229     antihistamine
Ribavirin 0.356     antiviral drug
Rilmazafone 0.571 *   sedative, hypnotic
Rilmenidine 0.386     treatment of hypertension
Riluzole 0.311     treatment of amyotrophic lateral sclerosis
Rimantadine (R/S) 0.236 / 0.223     antiviral drug
Rimcazole 0.540 *   anticonvulsant
Rimexolone 0.583 *   treatment of inflammation in the eye
Rimiterol 0.492 ~   third-generation β2 agonist
Rimonabant 0.372     anti-obesity drug (temporarily withdrawn from market)
Ripazepam 0.479 ~   anxiolytic
Risocaine 0.314     local anesthetic
Ritanserin 0.443 ~   treatment of schizophrenia
Ritodrine 0.675 ** hERG tocolytic drug
Rivaroxaban 0.268     oral anticoagulant
Rivastigmine 0.230     treatment of dementia (Alzheimer and due to Parkinson's disease)
Rivipansel (MW = 1,447; extremely charged: –4) 0.000     selectin antagonist: treatment of vaso-occlusive crisis
Rizatriptan 0.518     treatment of migraine headaches
Robalzotan 0.337     potential antidepressant
Robenidine 0.557 *   coccidiostat
Rociverine (R/S) 0.309 / 0.302     antimuscarinic
Roflumilast 0.491 ~   treatment of inflammatory diseases of the lungs
Rolicyclidine 0.396     anesthetic, hallucinogenic, sedative
Rolipram (R/S) 0.466 / 0.476 ~   NSAID
Rolziracetam 0.137     nootropic drug
Romifidine 0.207     sedative, anesthetic, analgesic (veterinary medicine)
Ronifibrate 0.599 *   fibrate
Ropinirole 0.369     treatment of Parkinson's disease
Ropivacaine 0.463 ~   local anesthetic
Roquinimex 0.212     immunostimulant
Rosiglitazone (R/S) 0.399 / 0.334     anti-diabetic drug
Rosoxacin 0.453 ~   treatment of urinary tract infections
Rubitecan 0.400     oral topoisomerase inhibitor (withdrawn)
Rufinamide 0.431 ~   anticonvulsant medication
Rupatadine 0.583 *   antihistamine
Salbutamol (R/S) 0.388 / 0.378     treatment of asthma and COPD
Salicylamide 0.153     analgesic and antipyretic properties
Salsalate 0.338     NSAID
Saripidem 0.470     sedative, anxiolytic
Sarmazenil 0.424 ~   anxiogenic, convulsant (veterinary medicine)
Sarpogrelate (R/S) 0.409 / 0.505 *   treatment of many diseases (e.g. diabetes mellitus)
Saxagliptin 0.455 ~   oral anti-hyperglycemic agent
Secnidazole (R/S) 0.229 / 0.257     anti-infective drug
Selegiline 0.294     treatment of Parkinson's disease, depression and senile dementia
Selfotel 0.059     anticonvulsant, anxiolytic, analgesic
Sematilide 0.178     antiarrhythmic agent
Seratrodast (R/S) 0.540 / 0.561 *   treatment of asthma
Sertaconazole (R/S) 0.560 / 0.595 *   antifungal medication
Sertindole 0.408 ~   treatment of schizophrenia
Setastine (R/S) 0.585 / 0.534 *   antihistamine
Setiptiline 0.473 ~   antidepressant
Sibutramine (R/S) 0.267 / 0.210     appetite suppressant
Simfibrate 0.451 ~   fibrate
Sivelestat 0.290     treatment of acute respiratory failure
Sofalcone 0.310     oral gastrointestinal medication
Solabegron 0.388     treatment of overactive bladder and irritable bowel syndrome
Sorbinil 0.292     aldose reductase inhibitor
Sorivudine 0.322     antiviral drug
Sotalol (R/S) 0.260 / 0.269     treatment of cardiac arrhythmias
Spiperone ~     antipsychotic drug
Spiradoline 0.444 ~   analgesic, diuretic, antitussive
Spironolactone 0.393     diuretic, antiandrogen
Stavudine 0.133     reverse transcriptase inhibitor
Stepronin (R/S) 0.291 / 0.266     mucolytic
Stiripentol (R/S) 0.500 / 0.510 *   treatment of epilepsy
Styramate (R/S) 0.399 / 0.342     muscle relaxant, anticonvulsant
Sufentanil 0.485 ~   opioid analgesic drug
Sulazepam 0.538 *   sedative, muscle relaxant, hypnotic, anticonvulsant, anxiolytic
Sulbentine 0.505 *   antifungal agent
Sulconazole (R/S) 0.563 / 0.568     antifungal medication
Sulfadiazine 0.181     sulfonamide antibiotic
Sulfadimethoxine 0.181     sulfonamide antibiotic
Sulfadimidine 0.068     sulfonamide antibiotic
Sulfadoxine 0.048     ultra-long lasting sulfonamide (malaria)
Sulfafurazole 0.182     sulfonamide antibiotic
Sulfalene 0.360     sulfonamide antibiotic
Sulfamerazine 0.120     sulfonamide antibiotic
Sulfamethizole 0.343     sulfonamide antibiotic
Sulfamethoxypyridazine 0.368     sulfonamide antibiotic
Sulfametomidine 0.088     sulfonamide antibiotic
Sulfametoxydiazine 0.171     sulfonamide antibiotic (leprae, urinary tract infections)
Sulfametrole 0.230     sulfonamide antibiotic
Sulfamoxole 0.187     sulfonamide antibiotic
Sulfaperin 0.130     sulfonamide antibiotic
Sulfaphenazole 0.300     sulfonamide antibiotic
Sulfapyridine 0.220     antibacterial drug
Sulfasalazine 0.306     treatment of inflammatory bowel disease
Sulfathiazole 0.161     short-acting sulfa drug
Sulfinpyrazone 0.369     treatment of gout
Sulfisomidine 0.077     sulfonamide antibiotic
Sulforidazine (R/S) 0.388 / 0.399     antipsychotic drug
Sulindac 0.501 *   NSAID for acute or chronic inflammations
Sulpiride (R/S) 0.338 / 0.221     treatment of schizophrenia and depression
Sultiame 0.457 ~   anticonvulsant
Sumatriptan 0.280     treatment of migraine headaches
Suproclone (R/S) 0.318 / 0.253     sedative, anxiolytic
Suprofen (R/S) 0.388 / 0.467     NSAID
Suramin (MW = 1,297; extremely charged: –6) 0.000     antiparasitic drug
Suriclone (R/S) 0.181 / 0.131     sedative, anxiolytic
Suritozole 0.425 ~   cognition enhancer (investigational drug)
Suxibuzone 0.540 *   treatment of joint and muscular paint
Tacalcitol 0.592 *   treatment of psoriasis
Tacrine 0.301     treatment of Alzheimer's disease
Talastine 0.409 ~   antihistamine
Talbutal (R/S) 0.103 / 0.149     short to intermediate-acting barbiturate
Talipexole 0.288     treatment of Parkinsons's disease
Talopram (R/S) 0.413 / 0.468 ~   antidepressant
Tamoxifen 0.604 ** ERα selective estrogen receptor modulator: carcinogenic, thromboembolism
Tasosartan 0.575 *   angiotensin II receptor antagonist
Tazarotene 0.549 *   treatment of psoriasis, acne and sun-damaged skin
Teclozan 0.531 *   antiprotozoal agent
Tedisamil 0.239     antiarrhythmic for atrial fibration and flutter
Tegafur (R/S) 0.148 / 0.090     treatment of cancer (prodrug)
Temozolomide 0.167     treatment of astrocytoma (brain tumor)
Tenidap 0.147     NSAID
Tenofovir 0.272     reverse transcriptase inhibitor
Tenonitrozole 0.239     antiprotozoal agent
Tenoxicam 0.188     NSAID
Tepoxalin 0.550 *   NSAID
Terazosin (R/S) 0.465 / 0.444 ~   treatment of hypertension along with BPH
Terbinafine 0.502 *   antifungal drug
Terbutaline (R/S) 0.279 / 0.288     bronchodilator
Terizidone (RR/RS=SR/SS) 0.551 / 0.498 / 0.529 *   treatment of tuberculosis
Terodiline (R/S) 0.442 / 0.437 ~   antispasmodic drug used in urology
Tertatolol (R/S) 0.446 / 0.367 ~   treatment of hypertension
Tetrabenazine 0.200     treatment of hyperkinetic movement disorder
Tetracaine 0.334     local anesthetic
Tetrahydrozoline (R/S) 0.358 / 0.360     vasoconstrictor (eye drops, nasal sprays): toxic at over dosage
Tetrazepam 0.427 ~   anxiolytic, muscle relaxant
Thenalidine 0.467 ~   antipuritic drug
Thenyldiamine 0.304     antihistamine
Theodrenaline (R/S) 0.657 / 0.560 ** hERG cardiac stimulant
Theophylline 0.215     treatment of COPD, Asthma: toxic by interaction with other drugs
Thialbarbital 0.143     sedative drug
Thiamphenicol 0.593 *   veterinary antibiotic
Thiethylperazine 0.518 *   treatment of nausea and vomiting
Thioacetazone 0.094     treatment of tuberculosis
Thiocarlide 0.243     treatment of tuberculosis
Thioguanine 0.060     treatment of cancer (antimetabolite)
Thioridazine (R/S) 0.598 / 0.548 *   treatment of schizophrenia and psychosis
Thonzylamine 0.493 ~   antihistamine, antipuritic
Tiagabine 0.282     anticonvulsive medication
Tianeptine (R/S) 0.415 / 0.439 ~   antidepressant, anxiolytic
Tiapride 0.398     neuroleptic agent
Tiaprofenic acid (R/S) 0.450 / 0.405 ~   NSAID
Tibolone 0.526 *   hormone-replacement therapeutic
Ticlatone 0.272     antifungal agent
Ticlopidine 0.426 ~   antiplatelet drug
Tidiacic (RR/RS/SR/SS) 0.328 / 0.231 / 0.091 / 0.200     hepatoprotective drug
Tiflorex (R/S) 0.390 / 0.369     appetite suppressant
Tifluadom (R/S) 0.372 / 0.474     analgesic, diuretic, sedative, appetite stimulant
Tilbroquinol 0.314     antiprotozoal agent
Tiletamine (R/S) 0.351 / 0.313     dissociative anesthetic (veterinary medicine)
Tilisolol (R/S) 0.488 / 0.498 ~   treatment of hypertension and angina pectoris
Tilorone 0.109     orally active interferon inducer
Timiperone 0.516 *   neuroleptic drug
Timolol 0.443 ~   treatment of high blood pressure
Tioconazole (R/S) 0.531 / 0.553 *   antifungal medication
Tipepidine 0.312     cough suppressant
Tiratricol 0.729 *** TRβ thyroid hormone analogue
Tirofiban 0.535 *   antiplatelet drug
Tiropramide (R/S) 0.483 / 0.465 ~   antispasmodic
Tisopurine 0.184     treatment of gout
Tixocortol 0.624 ** GR intestinal anti-inflammatory and decongestant
Tizanidine 0.325     muscle relaxant
Tocainide (R/S) 0.398 / 0.313     antiarrhythmic agent
Tofisopam (R/S) 0.485 / 0.424 ~   anxiolytic drug: not approved in US/Canada
Tolazamide 0.301     oral blood-glucose lowering drug (type-2 diabetes)
Tolazoline 0.287     vasodilator; treatment of acrocyanosis
Tolbutamide 0.288     management of type-2 diabetes
Tolcapone 0.374     treatment of Parkinson's disease; hepatotoxic
Tolciclate 0.414 ~   antifungal medication
Tolfenamic acid 0.419 ~   NSAID
Tolmetin 0.438 ~   treatment of arthritis: several side effects; toxic to rats
Tolnaftate 0.526 *   over-the-counter antifungal agent
Toloxatone (R/S) 0.345 / 0.360     antidepressant
Tolperisone (R/S) 0.469 / 0.470 ~   muscle relaxant
Tolpropamine (R/S) 0.468 / 0.391 ~   antihistamine used as an antipruritic
Toltrazuril 0.236     coccidiostat
Topotecan 0.393     chemotherapy agent: some side effects
Torasemide 0.065     loop diuretic
Toremifene 0.674 ** ERα selective estrogen receptor modulator
Tracazolate 0.177     anxiolytic drug
Tramadol 0.428 ~   analgesic
Tramazoline 0.287     nasal preparation
Tranexamic acid 0.190     antifibrinolytic agent
Tranilast 0.306     antiallergic drug
Tranylcypromine 0.248     antidepressant
Trapidil 0.282     vasodilator
Trefentanil 0.382     opioid analgesic
Trepibutone 0.436 ~   treatment of gastrointestinal disorders
Trestolone 0.601 ** AR hormonal male contraceptive
Triamcinolone 0.637 ** GR synthetic corticosteroid
Triamterene 0.050     potassium-sparing diuretic
Triapine 0.141     under investigation for cancer treatment
Trichlormethiazide (R/S) 0.083 / 0.085     treatment of edema
Triclabendazole 0.584 *   antihelminthic
Triethylenemelamine 0.396     drug used in chemotherapy
Triflubazam 0.443 ~   sedative, anxiolytic
Trifluoperazine 0.585 *   treatment of schizophrenia
Trifluperidol 0.595 *   antipsychotic drug (mania, schizophrenia)
Triflupromazine 0.433 ~   antipsychotic drug
Trifluridine 0.214     antiviral drug (herpes)
Triflusal 0.276     platelet-aggregation inhibitor
Trihexyphenidyl (R/S) 0.510 / 0.465 *   antiparkinsonian drug
Trilostane 0.388     treatment of Cushing's syndrome
Trimazosin 0.249     sympatholytic drug
Trimebutine (R/S) 0.290 / 0.315     antimuscarinic
Trimecaine 0.348     local anesthetic
Trimetazidine 0.546 *   treatment of angina pectoris
Trimethadione 0.167     anticonvulsant
Trimethobenzamide 0.275     antiemetic (prevention of nausea and vomiting)
Trimetozine 0.404 ~   anxiolytic drug
Trimetrexate 0.145     treatment of pneumocystis pneumonia
Tripelennamine 0.329     antipruritic and antihistamine
Triprolidine 0.486 ~   over-the-counter antihistamine
Tritoqualine (RR/RS/SR/SS) 0.184 / 0.268 / 0.401 / 0.403     antihistamine
Tropatepine 0.225     anti-parkinson drug
Tropicamide (R/S) 0.578 / 0.501 *   parasympatholytic (used for eye examinations)
Troxipide (R/S) 0.468 / 0.433 ~   treatment of gastroesophageal reflux disease
Tulobuterol (R/S) 0.293 / 0.289     β2-adrenergic receptor agonist
Ufenamate 0.504 *   topical analgesic
Uldazepam 0.577 *   sedative, anxiolytic
Ulobetasol 0.712 *** GR corticosteroid
Uramustine 0.302     chemotherapeutic drug
Urapidil 0.361     sympatholytic drug
Valdecoxib 0.530 *   treatment of osteoarthritis and rheumatoid arthritis
Valnoctamide (RR/RS/SR/SS) 0.214 / 0.192 / 0.158 / 0.163     sedative, hypnotic
Valofane (RR/RS/SR/SS) 0.082 / 0.052 / 0.067 / 0.071     sedative drug
Valproic acid 0.263     anticonvulsant
Valpromide 0.233     treatment of epilepsy
Valsartan 0.573 *   treatment of hypertension
Vanoxerine 0.473 ~   treatment of cocaine dependence
Varenicline 0.319     treatment of smoking addiction
Vedaclidine (R/S) 0.184 / 0.255     analgesic drug
Vemurafenib 0.524 *   B-Raf enzyme inhibitor
Vernakalant 0.479 ~   investigational drug (atrial fibrillation)
Vesnarinone 0.627 ** AhR cardiotonic agent
Vigabatrin (R/S) 0.178 / 0.175     anticonvulsant
Vildaglyptin 0.421 ~   oral anti-hyperglycemic agent
Viloxazine (R/S) 0.551 / 0.517 *   antidepressant
Viminol (six isomers) 0.471–0.536 *   opioid analgesic
Vinburnine 0.232     vasodilator
Vinconate 0.400     nootropic
Vinpocetine 0.392     nootropic, neuroprotective: no adverse reactions reported
Voglibose 0.390     treatment of diabetes mellitus
Voriconazole 0.693 ** 3A4 antifungal medication
Vorinostat 0.443 ~   treatment of cutaneous T cell lymphoma
Vorozole (R/S) 0.582 / 0.583     antienoplastic agent
Xaliproden 0.557 *   treatment of Alzheimer's disease
Xamoterol (R/S) 0.330 / 0.377     cardiac stimulant
Xanomeline 0.527 *   nasal decongestant
Xipamide 0.250     diuretic drug
Xorphanol 0.366     opioid analgesic
Xylazine 0.405 ~   sedative, anesthetic, muscle relaxant, analgesic (veterinary medicine)
Xylometazoline 0.404 ~   treatment of Alzheimer's disease and schizophrenia
Zacopride (R/S) 0.045 / 0.105     anxiolytic, nootropic, antiemetic
Zalcitabine 0.167     reverse transcriptase inhibitor
Zaleplon 0.283     sedative, hypnotic
Zalospirone 0.401 ~   antidepressant
Zanamivir 0.030     neuroamidase inhibitor
Zapizolam 0.425 ~   sedative, anxiolytic
Zatosetron 0.079     antinauseant, anxiolytic
Zidovudine 0.078     treatment of HIV
Zileuton (R/S) 0.353 / 0.349     treatment of asthma
Zinterol (R/S) 0.566 / 0.587 *   β-adrenergic agonist
Ziprasidone 0.524     atypical antipsychotic drug
Zofenopril 0.473 ~   treatment of hypertension
Zolazepam 0.313     veterinary anesthetic
Zolmitriptan 0.397     treatment of migraine
Zolpidem 0.297     treatment of insomnia; anticonvulsant, muscle relaxant
Zomepirac 0.454 ~   antipyretic (withdrawn from market)
Zonisamide 0.203     anticonvulsant
Zopiclone (R/S) 0.270 / 0.224     treatment of insomnia
Zotepine 0.537 *   treatment of schizophrenia
Zuclopenthixol 0.657 ** hERG antipsychotic neuroleptic drug
Zylofuramine 0.348     appetite suppressant (never marketed)


9. Vitamins

Compound Toxic potential ToxPot class Main target Comments
Vitamin A 0.504 *   retinoid: acute and liver toxicity at high doses
Vitamin B2 0.426 ~   riboflavin: not orally toxic
Vitamin B3 0.161     nicotinic acid: low toxicity at pharmacological doses
Vitamin B5 0.337     pantothenic acid: unlikely toxic
Vitamin B6 0.275     cofactor: safe at dosages less than 200 mg/day
Vitamin B9 0.063     folic acid: not toxic
Vitamin C 0.207     L-ascorbate: not toxic
Vitamin D2 0.578 *   ergocalciferol: conflicting toxicity data
Vitamin D3 0.570 *   cholecalciferol: toxic at high over dosage
Vitamin E 0.482 ~   fat-soluble antioxidant: toxic effects only at high dosage
Vitamin H (B7) 0.302     biotin: no adverse effects reported
Vitamin K1 0.525 *   phyllochinon
Vitamin L 0.198     anthranilic acid


10. Natural Compounds

Compound Toxic potential ToxPot class Main target Comments
Abietic acid 0.456 ~   resin acid
Abscisic acid 0.372     plant hormone
Acanthoic acid 0.420 ~   natural COX-2 inhibitor (Rollina pitteri)
11-Acetyl-Keto-Boswellic acid (β) 0.407 ~   pentacyclic triterpene found in Boswellia serrata
Adenine 0.079     purine base
Adrenaline 0.413 ~   neurotransmitter
Aflatoxin (B1/M1) 0.167 / 0.284     mycotoxin: extremely carcinogenic
Aldosterone (aldol/open) 0.570 / 0.636 ** MR mineralocorticoid
Aloin (A/B) 0.408 / 0.491 ~   naturally occurring bittering agent
Alternariol 0.295     toxic metabolite of Alternaria fungi
7-α-Aminoadipic acid 0.255     intermediate of the lysine and saccharopine metabolism
α-Aminoorcein 0.461 ~   dye extracted from lychen
Anatoxin A 0.221     cyanotoxin: acute neurotoxicity
Androstenone 0.481 ~   pheromone
Androsterone 0.465 ~   steroid hormone
Anethole 0.249     aromatic compound (anise, fennel)
Angelicin 0.405 ~   furocoumarin produced by a variety of plants
Anisaldehyde 0.297     found in anise
Anisomycin 0.473 ~   antibioitic produced by Streptomyces griseolus
Anthraquinone 0.451 ~   anthracene derivative (aloe, henna, rhubarb)
Aphidicolin 0.551 *   diterpene antibiotic from Nigrospora oryzae
Apigenin 0.382     flavone (parsley, celery)
Apiol 0.410 ~   compound found in celery and parsley
Aporphine 0.305     quinoline alkaloid
Arecoline 0.276     alkaloid found in the areca nut (Areca catechu)
Artemisinin 0.358     sesquiterpene lactone (Artemisia annua)
Asarone 0.382     ether found in acorus and asarum
Asparagusic acid 0.206     metabolic precursor of odorous thiols (asparagus)
Austrocortirubin 0.347     pigment of funghi
Auxin 0.279     phytohormone
Azaleic acid 0.339     saturated dicarboxylic acid (wheat, rye, barley)
Baicalein 0.523 *   flavone isolated from Scutellaria baicalensis
Batatasin III 0.494 ~   stilbenoid found in P. chinensis
Benzilic alcohol 0.205     found in fruits, teas and essential oils
Bergapten 0.333     bergamot essential oil component
Bergaptol 0.200     bergamot essential oil component
Betulin 0.569 *   naturally occurring triterpene (bark of birch tree)
Betulinic acid 0.430 ~   naturally occurring triterpene (bark of birch tree)
Biopterin (1R,2S) 0.192     coenzyme
Boswellic acid (α/β) 0.389 / 0.421     pentacyclic triterpene found in Boswellia serrata
Brassinolide 0.597 *   plant steroid
Brazilin 0.406 ~   red pigment (brazilwood family)
Bufotenin 0.302     alkaloid found in mushrooms, higher plants and mammals
Bulbocapnine 0.450 ~   alkaloid found in Corydalis and Dicentra
Burkholderic acid (keto/enol) 0.385 / 0.301     polyketide found in pathogenic Burkholderia species
Cadinene (α/β/γ) 0.308 / 0.336 / 0.376     bicyclic sesquiterpene from essential oil-producing plants
Cafestol 0.568 *   diterpene present in coffee
Caffeic acid 0.263     naturally occurring carcinogenic inhibitor
Caffeine 0.149     stimulant: side effects at high dosage
Camphor 0.221     terpenoid found in wood of the camphor laurel
Camphoric acid 0.142     oxidized form of camphor
Camptothecin 0.569 *   quinoline alkaloid found in Camptotheca acuminata
Canadine 0.273     protoberberine alkaloid
Cannabicyclol 0.430 ~   non-psychoactive cannabinoid found in Cannabis sativa
Cannabidiol 0.446 ~   psychoactive cannabinoid found in Cannabis sativa
Cannabidivarin 0.414 ~   non-psychoactive cannabinoid found in Cannabis sativa
Cannabinol 0.431 ~   non-psychoactive cannabinoid found in Cannabis sativa
Cannabivarin 0.355     non-psychoactive cannabinoid found in Cannabis sativa
Cantharidin 0.140     poisonous blister beetle secret
Capsaicin 0.421 ~   active compound of chili pepper
Carene 0.156     monoterpene constituent of turpentine
Carminic acid 0.361     hydroxianthrapurin (occurs in some scale insects)
Carvacrol 0.313     monoterpenoid phenol (oregano)
Carvone (R/S) 0.340 / 0.312     terpenoid found in many essential oils
Catechol 0.193     catechin distillate
Cathine 0.344     monoamine alkaloid (Catha edulis)
Cathinone 0.302     monoamine alkaloid (Catha edulis)
Cerebrosterol 0.655 ** ERα/β+PR hydroxylated cholesterol found in the brain
Chenodeoxycholic acid 0.470 ~   bile acid
4-Chloroindole-3-acetic acid 0.321     plant hormone
Cholesterol 0.634 ** ERα/β+PR required to build and maintain cell membranes
Cholic acid 0.389     bile acid
Chorismic acid 0.159     biochemical intermediate in plants and microorganisms
Chrysin 0.355     natural flavone (passion flower)
Cinchonine 0.134     alkaloid
Cinnamaldehyde 0.335     cinnamon flavor: low toxicity
Cinnamic acid 0.289     obtained from oil of cinnamon
Cinnamyl alcohol 0.298     present in cinnamon leaves
Citral (A/B) 0.339 / 0.297     present in lemon myrtle and several other plants
Citric acid (highly charged: –3) 0.034     citrus and other fruits, vegetables
Citrinin 0.101     mycotoxin
Citrulline (R/S) 0.336 / 0.343     rind of watermelon
Codeine 0.361     opium alkaloid
Coelonin 0.468 ~   dihydrophenanthrene found in P. chinensis
Colchicine 0.286     highly poisonous natural product
Combretastatin A-4 0.455 ~   natural stilbenoid phenol (Combretum caffrum)
Conessine 0.399     steroid alkaloid (Apocynaceae family)
Coniine 0.250     alkaloid found in poison hemlock
Corosolic acid 0.423 ~   pentacyclic triterpene
Cortisol 0.644 ** GR steroid hormone: treatment of allergies and inflammation
Cortisone 0.584 *   steroid hormone: suppression of the immune system
Coumaric acid 0.313     cinnamic-acid derivative (peanut, carrot, garlic)
Coumarin 0.296     plant toxin
Cryptotanshinone 0.298     found in red sage
Cubebol 0.394     sesquiterpene alcohol found in cubeb oil
Cuminaldehyde 0.326     found in eucalyptus, nyrrh, cassia, cumin
Cuparenol (R/S) 0.386 / 0.398     sesquiterpene found in Thuja orientalis
Curcumin 0.467 ~   principal curcuminoid in turmeric (ginger family)
Cuscohygrine 0.123     pyrrolidine alkaloid found in coca
Cyclopamine 0.394     alkaloid: teratogen
Cyclopiazonic acid 0.187     fungal secondary metabolite
Cytisine 0.363     alkaloid found in several Faboideae species
Cytokinin 0.368     plant hormone
Daidzein 0.523 *   isoflavone found in plants and herbs (e.g. soybean)
1-Dehydrocholestenone 0.565 *   cholesterol derivative
6-Dehydrocholestenone 0.591 *   cholesterol derivative
14-Deoxy-20-hydroxyecdysone 0.554 *   insect steroid
Desmosterol 0.633 ** ERα+PR cholesterol precursor
Desoxycorticosterone 0.698 ** PR mineralocorticoid excreted from the adrenal gland
Digalloylgallic acid 0.199 *   polyphenolic carbonic acid
Digoxigenin 0.543 *   steroid found in Digitalis purpurea
Dihydroactinidiolide 0.186     volatile terpene (black tea, mango, tobacco)
Dihydrocapsaicin 0.510     active compound in chili peppers
5-Dihydroprogesterone (α/β) 0.498 / 0.536 *   endogenous steroid hormone
Dihydrotanshinone 0.493 ~   found in red sage
1,8-Dihydroxyanthrachinone 0.325     anthraglycoside (emodine)
1,8-Dihydroxyanthrone 0.323     anthraglycoside (emodine)
Dillapiole 0.386     essential oil found in dill weed
Dimethyltryptamine 0.219     naturally occurring tryptamine; potent psychedelic drug
Diosgenin 0.359     steroid sapogenin (Dioscorea wild yam)
Domoic acid 0.182     neurotoxin (red algeae)
Ecdysone 0.573 *   insect steroid
Ecgonine 0.203     tropane alkaloid found in coca leaves
Ectocarpene 0.310     pheromone (brown algeae)
Ectoine 0.231     protective substance in bacterial cells
Elemicin 0.340     essential oil of nutmeg
Ellagic acid 0.270     polyphenol antioxidant (fruits, vegetables)
Epibatidine 0.270     poisonous frog alkaloid
Epicatechin 0.542 *   flavonoid (tea)
Epigallocatechin 0.487 ~   flavonoid (tea)
Epigallocatechin gallate 0.445 ~   flavonoid (tea)
Epinephrine 0.371     neurotransmitter
Epitestosterone 0.534 *   natural steroid
5-Epoxycholesterol (α/β) 0.607 / 0.608     oxysterol intermediate
Equilenin 0.493 ~   horse steroid
Equilin 0.498 ~   horse steroid
Equol 0.536 *   isoflavandiol
Erdacin 0.198     highly active antioxidant
Ergine 0.198     alkaloid of the ergoline family
Ergosterol 0.587 *   active constituent of Cordyceps sinensis
Ergotamine 0.416 ~   alkaloid of the ergot family
Estetrol 0.642 ** ERβ human estrogen steroid hormone
Estragole 0.287     found in tarragon, basil, pine oil, fennel, anise
Estriol 0.630 ** ERβ female sex hormone
Estrone 0.501 *   estrogenic hormone secreted by the ovary
Etorphine 0.346     semi-synthetic opioid (poppy straw; Papaver orientale, bracteatum)
Eucalyptol 0.136     monoterpenoid found in Eucalyptus oil
Evodiamine 0.491 ~   chemical extracted from the Evoida plant family
Febrifugine 0.479 ~   alkaloid found in Dichroa febrifuga
Fenchone 0.205     organic compound present in the oils of fennel
Ferruginol 0.492 ~   diterpene (Sequoica semperivirens)
Ferujol 0.545 *   coumarin (Ferula jaschkeana
Ferulic acid 0.343     phenolic phytochemical
Flavin 0.135     riboflavin derivative
Forskolin 0.412 ~   labdana diterpene (Coleus forsohili)
Gallic acid 0.160     organic acid (gallnuts, witch hazel, tea leaves)
Ganoderic acid A 0.363     triterpenoid from Ganoderma mushrooms
Genipin 0.314     active compound in gardenia fruit (→ TCM)
Geosmin 0.237     organic compound (earthy taste) found in beets
Geranic acid 0.375     pheromone
Gestonorone 0.592 *   progestagen hormone
Gingerol 0.448 ~   active constituent of fresh ginger
Glaucine 0.429 ~   alkaloid found in Glaucinum flavam
Gliotoxin 0.438 ~   antibiotic produced by several species of fungi
Glucuronolactone 0.278     glucose metabolite in the liver: low acute toxicity
Glutamic acid 0.150     swift excitatory neurotransmitter
Glycyrrhetinic acid 0.438 ~   triterpenoid (Licorice plant)
Glycyrrhizol A 0.422 ~   flavonoid (roots of the Chinese Licorice plant)
Guaiacol 0.206     aromatic oil from guaiacum or wood cresote
Guaiazulene 0.336     sesquiterpene (oil from guaiac and camomile)
Guanacastepene A 0.506 *   diterpene (extracted from a Costa Rica fungus)
Gyromitrin 0.112     chemical present in Gyromithra mushrooms: possibly cancerogenic
Haematoxylin 0.523 *   black pigment (logwood tree)
Harmaline 0.300     psychoactive indole alkaloid
Harmane 0.345     indole alkaloid
Harmine 0.254     indole alkaloid: cytotoxic
Hasubanan 0.364     alkaloid (Stephania longa)
Hasubanonine 0.284     alkaloid of the hasubanan family
3,7-O-dimethyl-Herbacetin 0.435 ~   flavonoid found in L. tridenta
3,8-O-dimethyl-Herbacetin 0.460 ~   flavonoid found in L. tridenta
Hesperetin 0.261     bioflavonoid found in Citrus fruits
Hippuric acid 0.364     carboxylic acid found in the urine of horses
Hippuristanol 0.497 ~   molecule found in the coral Isis hippunis
Histamine 0.273     neurotransmitter
Histidine 0.225     amino acid (essential for children)
Homogentisic acid 0.321     metabolic breakdown product of Phe and Tyr
Honokiol 0.510 *   biphenolic compound found in Magnolia grandifloris
Hordenine 0.338     alkaloid of the Cactacaea family
Hydrastatine (R/S) 0.239 / 0.343     alkaloid found in Hydrastis canadensis
26-Hydroxycholesterol 0.629 ** PR  
7-Hydroxy-DHEA (α/β) 0.439 / 0.531 *   metabolite of DHEA
20-Hydroecdysone 0.634 ** GR+PR insect steroid
20-Hydroxyecdysone 0.591 *   insect steroid
26-Hydroxyecdysone (R/S) 0.543 / 0.600 *   insect steroid
11β-Hydroxyetiocholanolone 0.444 ~    
α-Hydroxyorcein 0.281     dye extracted from lychen
7-Hydroxypregenolone (α/β) 0.465 / 0.463 ~   metabolite of DHEA
17α-Hydroxypregenolone 0.566 *   metabolite of DHEA
11β-Hydroxyprogesterone 0.538 *   steroid hormone
17-Hydroxyprogesterone 0.584 *   steroid hormone
Hygrine 0.109     pyrrolidine alkaloid (coca leaves)
Hyperforin 0.485 ~   active constituent of Saint John's wort
Hypericin 0.398     active constituent of Saint John's wort
Hypoglycin 0.328     organic compound found un Blighia sapida
Ibogaine 0.080     psychoactive compound found in Tabermanthe iboga
Ibotenic acid 0.148     neurotoxin (mushrooms)
Indole 0.164     degradation product of tryptophan
Indole-3-acetic acid 0.266     phytohormone (auxin)
Indole-3-carbinol 0.294     found in criuferous vegetables; potentially anticarcinogenic
Indoylcarboxythiazole-carbonic acid-methylester (ITE) 0.433 ~   possibly endogenous ligand of the Ah receptor
Inosinic acid 0.452 ~   nucleotide present in muscle and other tissues
Inositol (myo) 0.278     structural basis for secondary messengers
Ionone (α/β/γ) 0.358 / 0.327 / 0.318     aroma compounds found in a variety of essential oils
Isatin 0.233     indole derivative found in many plants
Jasmone 0.336     natural organic compound (jasmine flower)
Kainic acid 0.288     marine acid present in some seaweed
7-Ketocholesterol 0.613 ** ERβ+PR major oxidation product od cholesterol
7-Keto-DHEA 0.405 ~   metabolite of DHEA
11-Keto-Etiocholanolone 0.453 ~    
7-Ketopregnenolone 0.481 ~    
11-Ketoprogesterone 0.367      
7-Ketostigmasterol 0.535 *   sterol oxydation product
Khellin 0.352     vasodilator found in Ammi visnaga used by Egyptian folk medicine
Kojic acid 0.196     chelation agent produced by Aspergillus oryzae
Laudenosine 0.555 *   alkaloid found in opium
Linamarin 0.383     cyanogenic glucoside (e.g. lima beans, flax)
Lipoic acid 0.387     essential cofactor for many enzymes
Lobeline 0.497 ~   natural alkaloid found in various Lobelia species
Longifolene 0.286     sesquiterpene found in pine resins
Lotaustralin 0.402 ~   cyanogenic glucoside (e.g. lima beans, roseroot)
Luciferin 0.306     bioluminescent (firefly)
Lupeol 0.562 *   pharmacologically active triterpenoid
Lupinine 0.183     alkaloid present in Leguminosae plants
Luteolin 0.401 ~   natural flavone (celery, green pepper, perilla and camomile tea)
Lysergol 0.373     ergoline alkaloid found in fungi
Macromerine (R/S) 0.395 / 0.375     psychoactive compound from Coryphanta macromeris
Matrine 0.114     alkaloid found in Sophora species
Melatonin 0.288     naturally occurring hormone
Menadiol 0.321     vitamin K3 derivative
Menthol 0.264     found in mint oils
β-Methylamino-L-alanine 0.230     neurotoxin (cycad seeds)
β-Methylphenethylamine 0.251     amphetamine-related compound found in many Acacia species
Mevastatin 0.335     statin from Penicillum cirtrinum
Mimosine 0.444 ~   alkaloid found in Mimosa species
Mitomycin 0.435 ~   lavendulea extract
Moronic acid 0.436 ~   triterpene found in sumac plants
Muscimol 0.149     psychoactive alkaloid (mushrooms)
3,3',4'-O-trimethyl-Myricetin 0.499 ~   flavonoid found in L. tridenta
Naringenin 0.351     flavonoid (grapefruit juice): inhibits CYP1A2 and 3A4
Nicotinamide 0.219     amide of vitamin B3
N-Nitrosonornicotine 0.301     nitrosamine found in tobacco: carcinogen
Nonivamide 0.500 ~   capsaicinoid present in chili peppers
Nootkatone 0.374     sesquiterpene aromatic of grapefruit
Norepinephrine 0.396     hormone and neurotransmitter
Norpatchoulenol 0.223     terpenoid found in patchouli oil
Noscapine 0.326     benzoisoquinoline alkaloid (Papaveraceae plants)
Novobiocin 0.073     aminocoumarin antibiotic (Streptomyces niveus)
Nuciferine 0.453 ~   alkaloid found in Nymphaea caerulea
Octopamine (R/S) 0.386 / 0.326     biogenic amine found in salivar glands of the octopus
Orcin 0.156     found in many lichens
Ornithine 0.334     amino acid
Orotic acid 0.082     historically vitamin B13
Orselinic acid 0.208     organic acid found in lychens
Oxysterol 0.513 *   oxydation product of cholesterol
Papaverine 0.477 ~   alkaloid found in poppy
Paraxanthine 0.093     caffeine metabolite (in animals)
Parietin 0.260     cortical pigment of lichens
Patulin (R/S) 0.242 / 0.240     mycotocin: genotoxic; restricted use in several countries
Pavine 0.175     alkaloid found in Poppy species
Paxilline 0.357     toxic, tremorgenic indole alkaloid
Perillaldehyde 0.325     monoterpenoid found in perilla herb
2-Phenethylamine 0.266     monoamine alkaloid found e.g. in chocolate
Phenylacetic acid 0.277     active auxin found in fruits
L-Phenylalanine 0.289     natural amino acid
Pholitodol D 0.400     stilbenoid found in P. chinensis
Physostigmine 0.238     cholinesterase inhibitor alkaloid
Plumbagin 0.320     naphtoquinone found in the plant genus Plumbago
Podocarpic acid 0.448 ~   terpene found in the podocarp fruit
Podocarpinol 0.492 ~   terpene found in the podocarp fruit
Ponasterone A 0.533 *   insect steroid hormone
Poststerone 0.572 *   insect steroid
Pregnanediol 0.575 *   degradation product of progesterone
Pregnanetriol 0.577 *   degradation product of progesterone
Pregnanetriolone 0.521 *   metabolite of progesterone
Pregnanolone 0.518 *   metabolite of progesterone
Pregnenolone 0.512 *   metabolite of progesterone
Progesterone 0.460 ~   steroid hormone
Psilocin 0.209     hallucinogenic mushroom alkaloid
Psilocybin 0.091     hallucinogenic found in psilocybin mushrooms
Psoralen 0.347     furocoumarin
Pterin 0.038     heterocyclic compound found in butterfly pigments
Pterosine (RR/SS) 0.378 / 0.441     sesquiterpene found in Illludan funghi
Pterostilbene 0.504 *   stilbenoid found in blueberries and grapes
Pulegone 0.260     flavorant found in the essential oils of plants
Purpurin 0.403 ~   dye found in the roots of Rubia tinctorum
Pyridoxine 0.276     Pyridoxol: vitamin B6-related related
Pyroglutamic acid (R/S) 0.131 / 0.135     uncommon amino acid
Quinic acid 0.252     crystalline acid obtained from cinchona bark and coffee beans
Raspberry ketone 0.338     primary aroma compound of red raspberries
Resveratrol 0.468 ~   phytoalexin
Retronecine 0.178     pyrrolizidine alkaloid
Rosaceae acid (E/Z) 0.562 / 0.492 *   cucurbitan derivative (Alnus acuminata)
Rosmarinic acid 0.508 *   antioxidant found in many Lamiaceae herbs
Rotenone 0.196     naturally occurring insecticide, piscicide, pesticide
Rubrosterone 0.506 *   insect steroid
Rutaecarpine 0.444 ~   alkaloid found in Evodia rutaecarpa
Rutin 0.391     quercetin glycoside
Safranal 0.243     aroma compound of saffron
Safrole 0.300     sassafras plant extract
Salicylic acid 0.240     plant hormone
Salvinorin A 0.267     psychotropic component of Salvia divinorum
Samandarine 0.362     toxic alkaloid produced by salamanders
Scoulerine 0.271     alkaloid found in opium poppy
Serotonin 0.407 ~   neurotransmitter
Sesamol 0.170     phenolic component of sesame oil
Shikimic acid 0.291     biochemical intermediate in plants
Silibinin 0.266     main active constituent of silymarin (Silybum marianum)
Sinapinic acid 0.461 ~   phenylpropanoid found in L. Sinapi
β-Sitosterol 0.598 *   phytosterol found in many plants, e.g. black cumin seed
Solanidine 0.184     alkaloid found in Solanacere plants
Sparteine 0.126     alkaloid (scotch broom, Lupinus mutabilis); antiarrhythmic agent
Spectinomycin 0.498 ~   naturally occuring antibiotic (Streptomyces achromogenes)
Sterigmatocystin 0.314     dermatoxin poison
Stigmasterol 0.594 *   phytosterol
Streptozotocin 0.361     aminocyclitol antibiotic (Streptomyces spectabilis)
Strychnine 0.242     alkaloid pesticide
Sugiol 0.423 ~   diterpene found in the bark of Cupressaceae
Swainsonine 0.205     indazolidine alkaloid; immunomodulator
Tangeritin 0.448 ~   polymethoxylated flavone (tangerine, citrus peels)
Tanshinone I 0.492 ~   found in red sage
Taurine 0.088     major bile constituent
Tetrahydrobiopterin 0.252     essential cofactor to aromatic hydroxylases
Tetrodotoxin 0.077     neurotoxin: slightly toxic to mice
Theobromine 0.066     bitter alkaloid (cacao plant)
Thiolactomycine 0.213     thiolactone antibiotic first isolated from Nocardia sp.
Thymol 0.283     monoterpene phenol (thyme oil)
Thymoquinone 0.314     antioxidant found in Nigella sativa
Thyroxine 0.634 ** TRα thyroid hormone
Triiodo-L-thyronine 0.702 *** TRβ thyroid hormone
Trioxsalen 0.373     furanocoumarin (Psoralea corylifolia)
Turkesterone 0.456 ~   insect steroid
Tyramine 0.364     naturally occuring monoamine
Umbelliferone 0.262     widespread product of the coumarin family
Ursodiol 0.595 *   secondary bile acid
Ursolic acid 0.427 ~   pentacyclic triterpene
Usnic acid 0.140     dibenzofuran derivative found in lichen
Vanillin 0.241     primary component of vanilla bean extract
Vasicine 0.393     alcaloid found in P. harmala
Vasicinone 0.320     alcaloid found in P. harmala
Vincamine 0.243     indole alkaloid (Vinva minor); peripheral vasodilator
Visnadine 0.252     natural vasodilator isolated from bishop's weed (Ammi visnaga)
Voacangine 0.084     alkaloid found in the rootbarks of the Vacanga africane tree
Vomitoxin 0.362     mycotoxin
Xanthopterin 0.069     inhibits growth of lymphocytes
Xantocillin 0.682 ** ERα/β naturally occurring isocyanide (first isolated from Penicillum notatum)
Zearalenone 0.465 ~   mycotoxin found in Fusarium and Gibberella species
Zearalanol (α/β) 0.515 / 0.477 *   Zearalenone metabolite
Zearalenol (α/β) 0.475 / 0.385 ~   Zearalenone metabolite
Zingiberene 0.417 ~   sesquiterpene (oil of ginger)


11. Cosmetic Chemicals8

Compound Toxic potential ToxPot class Main target Comments
Acetaminosalol 0.375     UV absorber
Ambrox 0.261     perfume odorant
Avobenzone 0.406 ~   sunscreen
Benzalphtalide 0.474 ~   UV absorber
Benzophenone 0.459 ~   UV absorber in perfumes and soaps: not mutagenic
Benzophenone-1 0.363     UV absorber
Benzophenone-2 0.324     UV absorber
Benzophenone-3 0.383     UV absorber
Benzophenone-4 0.375     UV absorber
Benzophenone-5 0.382     UV absorber
Benzophenone-6 0.281     UV absorber
Benzophenone-7 0.384     UV absorber
Benzophenone-8 0.327     UV absorber
Benzophenone-9 0.181     UV absorber
Benzophenone-10 0.431 ~   UV absorber
Benzophenone-11 (R=H/CH3) 0.303 / 0.366     UV absorber
Benzophenone-12 0.474 ~   UV absorber
Benzylbenzoate 0.533     food additive in artificial flavors: may cause allergies
Benzylsalicylate 0.496 ~   cosmetic ingredient: low acute toxicity; possibly nephrotoxic
Bornelone (keto/enol) 0.295 / 0.333     UV absorber
2-Bromo-2-nitropropane-1,3-diol 0.173     antimicrobial chemical agent: restricted use in Canada
Bumetrizole 0.484 ~   UV absorber
Citronellol 0.354     perfumes, insect repellant (FDA: safe compound)
Diazolidinylurea (R/S) 0.089 / 0.073     amine dialcohol: carcinogen; allergic reactions: carcinogen
Dibenzoxazinylnaphtalene 0.729 *** AhR UV absorber
Dibenzylideneacetone 0.561 *   UV absorber
Diethanolamine 0.224     amine dialcohol: inhibits fetal brain development in mice
Diisopropylethylcinnamate 0.413     UV absorber
Diisopropylmethylcinnamate 0.412 ~   UV absorber
Dimorpholinopyridazinone 0.484 ~   UV absorber
Diphenylpiperazinylbenzimidazole 0.550 *   UV absorber
1,4-Dioxane 0.087     aprotic solvent: eye and respiratory tract irritant
Di-tert-butylhydroxybenzylidene camphor (1R,4S/1S,4R) 0.376 / 0.382     UV absorber
2,6-di-tert-butyl-4-methylphenol 0.308     banned for food use in Japan, Sweden, Australia and US
Drometrizole 0.437 ~   UV absorber
4-Ethylamino-3-nitrobenzoic acid 0.191     UV absorber
Ethylcinnamate 0.421 ~   UV absorber
Ethylmethoxycinnamate 0.425 ~   UV absorber
Ethylurocanate 0.364     UV absorber
Eugenol 0.312     perfume odorant: over dosage causes various side effects
Evernyl 0.231     perfume odorant
Farnesol 0.493 ~   perfume additive
Firsantol (RR/RS/SR/SS) 0.384 / 0.385 / 0.392 / 0.380     perfume odorant
Galaxolide (RR/RS/SR/SS) 0.359 / 0.325 / 0.349 / 0.337     synthetic musk fragrance
Georgywood (RS/SR) 0.366 / 0.353     perfume odorant
Geraniol 0.368     perfume odorant
Hedione 0.435 ~   perfume odorant
Hydantoin 0.052     cosmetic chemical
Isoeugenol 0.302     perfume odorant
4-Isopropylbenzylsalicylate 0.518 *   UV absorber
Linalool (R/S) 0.274 / 0.266     soap, shampoo and lotion scent
4-Methylbenzylidenecamphor-sulfonic acid (1R,4S/1S,4R) 0.501 / 0.524 *   UV absorber
6-Methylcoumarin 0.328     perfume odorant
7-Methylcoumarin 0.305     perfume odorant
Moxalone 0.290     perfume odorant
Musk ketone 0.289     synthetic musk fragrance
Musk xylene 0.240     synthetic musk fragrance
Octrizole 0.577 *   UV absorber
Oxobenzoxazinylnaphtalene sulfonanilide 0.449 ~   UV absorber
Panthenol 0.352     humectant, emolient, moisturizer: not toxic in rats
Propyleneglycol (R/S) 0.065 / 0.068     moisturizer: not carcinogenic or genotoxic
2-tert-butyl-4-hydroxianisole 0.336     antioxidant
3-tert-butyl-4-hydroxianisole 0.323     antioxidant
tert-butyl-methoxydibenzomethane 0.433 ~   UV absorber
Tropional (R/S) 0.351 / 0.299     perfume odorant
8 Other cosmetic chemicals are listed in class 1.


12. Various Chemicals

Compound Toxic potential ToxPot class Main target Comments
Acenaphthene 0.230     PAH: not carcinogenic
Acenaphthoquinone 0.408 ~   PAH: carcinogenic properties unclear
Acenaphthylene 0.223     PAH
Acetamiprid 0.326     neo-nicotinoid insecticide
Acetanilide 0.152     industrial chemical
2-Acetylaminofluorene 0.312     carcinogenic, mutagenic
2-Acetylamino-3,7,8-trichlorodibenzo-p-dioxin 0.394     suspected hazardous pollutant
Acibenzolar 0.271     fungicide
Acridine 0.332      
Acridine orange 0.294     fluorescent dye
Acridine yellow 0.346     fluorescent dye
Adamantane 0.110      
Adrenochrome (R/S) 0.290 / 0.274     pigment; hemeostatic properties
5-Aldoellipticine 0.352      
Aldrin 0.270     insecticide
Alizarin 0.464 ~   antraquinone dye: not highly toxic
Amidol 0.163     photographic developer
3'-Amino-α-naphthoflavone 0.511 *    
4-Aminobenzoic acid 0.238     PABA; essential nutrient for some bacteria
4-Aminobiphenyl 0.365     azo dye
1-Amino-9-methoxyellipticine 0.332      
4-Amino-2-methyl-1-naphthol 0.314     vitamin K3 derivative
Aminothiazole 0.071     chemical intermediate with antibacterial activity
3-Amino-1,2,4-triazole 0.046     triazole herbicide
2-Amino-3,7,8-trichlorodibenzo-p-dioxin 0.451 ~   suspected hazardous pollutant
7-Amino-2,3-dichlorodibenzo-p-dioxin 0.397     suspected hazardous pollutant
Anisoylchloride (o/m/p) 0.279 / 0.315 / 0.324     acyl halide
Anthrone 0.405 ~   tricyclic aromatic hydrocarbon
Atrazine 0.112     herbicide: teratogen in frogs; endocrine disruptor
Auramine O 0.472 ~   diarylmethane dye
Aurin 0.512 *   pH indicator
Azobenzene 0.361     historically used as dye
3-Azo-5,11-diketoellipticine 0.355      
3-Azoellipticine 0.331      
4-Azo-8-methoxyellipticine 0.427 ~    
Azulene 0.205     monoterpene (isomer of naphtalene)
Benomyl 0.088     fungicide
Benzanthrone 0.483 ~   aromatic hydrocarbon (dyestuff)
Benzidine 0.318     carcinogenic aromatic amine
Benzilic acid 0.470 ~    
Benzo[c]cinnoline 0.378     tricyclic aromatic compound
Benzo[a]fluorene 0.523 *   suspected hazardous pollutant
Benzo[b]fluorene 0.522 *   suspected hazardous pollutant
Benzoic acid 0.263     food preservative
Benzoin (R/S) 0.530 / 0.501 *   desyl alcohol
Benzothiadiazine 0.258     industrial chemical
Benzothiazole 0.253     industrial chemical
Benzotriazole 0.215     corrosion inhibitor, aircraft deicer
Benzoylchloride 0.272     chemical intermediate
Benzoylperoxide 0.445 ~   radical initiator
Benzylbutylphthalate 0.453 ~   plasticizer
Benzylideneacetone 0.358     α,β-unsaturated ketone
Bifenthrin (R/S) 0.482 / 0.559 *   insecticide
2,2'-Bipyridine 0.310     transition-metal chelator
1,8-Bis(dimethylamino)naphthalene 0.321     highly basic diamine
Bis(2-ethylhexyl)phthalate (RR/RS=SR/SS) 0.480 / 0.473 / 0.490 ~   plasticizer
Bismarck brown Y 0.350     diazo dye used for tissue staining
Bisphenol-AF9 0.486 ~   polymer additive
Bisphenol-AP 0.629 ** AR+ERα polymer additive
Bisphenol-BP 0.660 ** ERβ polymer additive
Bisphenol-C 0.529 *   polymer additive
Bisphenol-D 0.556 *   polymer additive
Bisphenol-E 0.466 ~   polymer additive
Bisphenol-F 0.459 ~   skin, eye and respiratory irritant
Bisphenol-FL 0.659 ** ERα polymer additive
Bisphenol-G 0.596 *   polymer additive
Bisphenol-M 0.717 *** ERβ polymer additive
Bisphenol-P 0.720 *** ERα+MR polymer additive
Bisphenol-PH 0.670 ** ERβ polymer additive
Bisphenol-S 0.325     polymer additive
Bisphenol-T (R/S) 0.552 / 0.551 *   polymer additive
Bisphenol-Z 0.593 *   polymer additive
Bromocresol purple 0.366     pH indicator
Bromophenol blue 0.174     pH indicator, color marker dye
7-Bromo-2,3-dichlorodibenzo-p-dioxin 0.497 ~   suspected hazardous pollutant
8-Bromo-2,3-dichlorodibenzofuran 0.466 ~   suspected hazardous pollutant
8-Bromomethyl-2,3,4-trichlorodibenzofuran 0.520 *   suspected hazardous pollutant
8-Bromo-2,3,4-trichlorodibenzofuran 0.481 ~   suspected hazardous pollutant
2-Bromo-3,7,8-trichlorodibenzo-p-dioxin 0.503 *   suspected hazardous pollutant
Butyrophenone 0.304     aromatic ketone
Calcein (open/hemi-acetal; extremely charged: –4) 0.373 / 0.197     fluorescent dye
Camphene 0.121     bicyclic monoterpene
Caprolactam 0.194     organic monomer (nylon-6)
Carbaryl 0.324     insecticide: toxic (cholinesterase inhibitor)
Carbazole 0.270     antrachinone dye
β-Carboline 0.336     organic amine
Chinizarine 0.383     antrachinone dye
Chlordane 0.324     insecticide
4-Chloroaniline 0.194     chlorinated derivative of aniline
Chlorobenzene 0.137     aromatic organic compound
2-Chloro-4-biphenylol 0.427 ~   fungicide
1-Chlorodibenzo-p-dioxin 0.387     suspected hazardous pollutant
2-Chlorodibenzofuran 0.370     suspected hazardous pollutant
3-Chlorodibenzofuran 0.364     suspected hazardous pollutant
4-Chlorodibenzofuran 0.353     suspected hazardous pollutant
p-Chlorocresol 0.234     antiseptic, preservative agent
Chlorphenol red 0.349     pH indicator
8-Chlorotheophylline 0.206     xanthine derivative (stimulant properties)
Chloroxylenol 0.235     antibacterial agent (soaps)
Chlorpyrifos 0.269     organophosphate insecticide
Chlorquinaldol 0.312     antiseptic, disinfectant
Chlortoluron 0.245     herbicide
Chromotropic acid 0.174     analytical agent (dye)
Cinnoline 0.284     aromatic heterocyclic compound
Cinoxate 0.468 ~   ingredient of sunscreens
Clofibric acid 0.399     herbicide
Clothianidin 0.149     neo-nicotinoid insecticide
Coronene 0.620 ** AhR PAH, occurs in carpathite
Cotinine 0.296     nicotine metabolite
Coumaphos 0.316     ectoparasitizide
Cubane 0.053     synthetic hydrocarbon
2-Cyano-3,7,8-trichlorodibenzo-p-dioxin 0.547 *   suspected hazardous pollutant
7-Cyano-2,3-dichlorodibenzo-p-dioxin 0.535 *   suspected hazardous pollutant
Cyanuric acid 0.013     triazine (bleaches, disinfectants, herbicides)
Cyanuric chloride 0.309     trimer of cyanogen chloride
Cyclohexenone 0.141     versatile organic intermediate
Cyclohexylamine 0.127     organic chemical
Cyclohexylnitrite 0.225     chemical with antianginal properties
Cyclonite (RDX) 0.132     explosive nitroamine
Cypermethrin (cis/trans) 0.482 / 0.534 *   primarily used as an insecticide
DABCO (1,4,diazabicyclo[2.2.2]octane) 0.096     chemical catalyst
Dantron 0.319     anthraquinone derivative
DAPI (4'6-diamino-2-phenylindole) 0.052     fluorescent stain
2-Deazo-5,11-diketoellipticine 0.516 *    
2-Deazoellipticine 0.403 ~    
Decabromodiphenylether 0.429 ~   brominated flame retardant
N,N-Diethyl-meta-toluamide (DEET) 0.340     active ingredient in insect repellants
Dehydroacetic acid 0.104     fungicide, bactericide
Dehydrocholic acid 0.358     synthetic bile acid
7,8-Dehydrorutaecarpine 0.412 ~    
Deltamethrin (cis/trans) 0.454 / 0.609 ** AhR insecticide
Dettol (p-chlorometaxylenol: PCMX) 0.244     antiseptic
3,3'-Diaminobenzidine 0.461 ~   used to detect fingerprints in blood
3,4-Diaminodiphenylmethane 0.370      
4,4-Diaminodiphenylmethane 0.346      
Dianin's compound (R/S) 0.405 / 0.402 ~   condensation isomer of Bisphenol A and acetone
Diatrizoic acid 0.209     radiocontrast agent
Diazinon 0.209     insecticide
Dibenzo[ac]anthracene 0.576 *   suspected hazardous pollutant
Dibenzofuran 0.324     suspected hazardous pollutant
3-Dibenzofuranamine 0.323     suspected hazardous pollutant
2,5-Dichloro-4'-biphenylol 0.447 ~   fungicide
2,8-Dichlorodibenzo-p-dioxin 0.443 ~   suspected hazardous pollutant
2,3-Dichlorodibenzofuran 0.406 ~   suspected hazardous pollutant
2,6-Dichlorodibenzofuran 0.402 ~   suspected hazardous pollutant
2,8-Dichlorodibenzofuran 0.418 ~   suspected hazardous pollutant
Dichlorodiphenyldichloroethylene (DDE) 0.534 *   DDT metabolite
Dichlorophen 0.529 *   anticestodal agent
Dieldrin 0.373     insecticide
Difloxacin 0.514 *   quinolone
Diiodohydroxyquinoline 0.371     quinoline derivative
7,12-Dimethylbenzo[a]anthracene 0.513 *   suspected hazardous pollutant
Dimethylbenzylamine 0.200     organic catalyst (for PU foams and resins)
Dimethylterephtalate 0.426 ~   chemical intermediate (polyester production)
Dinoseb (R/S) 0.225 / 0.208     herbicide
Dioxathion 0.012     insecticide
Diphenylacetylene 0.415 ~    
Diphenylketene 0.498 ~    
Diphenylmethane 0.352      
Diphenylmethanol 0.439 ~   used in perfumes
Disperse Red 9 0.406 ~   Anthraquinone dye
Disperse Red 11 0.343     Anthraquinone dye
Di-tert.butyl-dicarbonate 0.066     organic reagent
Divinylbenzene (meta/para) 0.217 / 0.220     styrene derivative
Dodecylbenzene 0.631 ** AhR alkyl benzene
Droxidopa 0.420 ~   synthetic amino acid
Endosulfan 0.491 ~   insecticide, acaricide
EDTA 0.026     chelating agent
Eosin (B/Y) 0.215 / 0.433     fluorescent dye
Ethacridine 0.241      
8-Ethyl-2,3,4-trichlorodibenzofuran 0.471 ~   suspected hazardous pollutant
Etofenprox 0.491 ~   insecticide
Fenoxycarb 0.377     insecticide
Fenvalerate (RR/RS/SR/SS) 0.450 / 0.478 / 0.504 / 0.485 *   insecticide
Fipronil 0.416 ~   insecticide
Flavanole 0.324     synthetic flavone
Flavanone 0.282     synthetic flavone
Flavone 0.408 ~   synthetic flavone
Flavonole 0.446 ~   synthetic flavone
Fluoranthene 0.371     PAH found in combustion products
Fluorene 0.299     PAH used to make dyes, plastics, pesticides
Fluorenone 0.413 ~   oxidation product of fluorene
Fluorescein 0.406 ~   fluorophore commonly used in microscopy
7-Fluoro-2,3-dichlorodibenzo-p-dioxin 0.439 ~   suspected hazardous pollutant
8-Fluoro-2,3-dichlorodibenzofuran 0.400     suspected hazardous pollutant
Fluorone 0.390     basic skeleton for various chemicals
2-Fluoro-3,7,8-trichlorodibenzo-p-dioxin 0.475 ~   suspected hazardous pollutant
8-Fluoro-2,3,4-trichlorodibenzofuran 0.433 ~   suspected hazardous pollutant
Formebolone 0.419 ~   anabolic steroid
Fuchsine 0.557 *   magenta dye
Furazabol 0.564 *   derivative of the anabolic steroid stanozolol
Furylfuramide 0.423 ~   food preservative: withdrawn from market
Gentisic acid 0.310     antioxidant excipient
Glyphosate 0.211     systemic herbicide
Gonan (cis/trans) 0.416 / 0.380 ~   saturated, unsubstituted steran
Hematein 0.316     oxidized derivative of haematoxylin
HEPES 0.467 ~   zwitterionic buffering agent
Heptachlor 0.350     insecticide
2,2',4,4',5,5'-Hexachlorobiphenyl 0.474 ~   suspected hazardous pollutant
2,3,3',4,4',5-Hexachlorobiphenyl 0.476 ~   suspected hazardous pollutant
2,3,3',4,4',5'-Hexachlorobiphenyl 0.508 *   suspected hazardous pollutant
2,3',4,4',5,5'-Hexachlorobiphenyl 0.507 *   suspected hazardous pollutant
2,3',4,4',5',6-Hexachlorobiphenyl 0.496 ~   suspected hazardous pollutant
1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin 0.516 *   suspected hazardous pollutant
1,2,3,6,7,8-Hexachlorodibenzofuran 0.488 ~   suspected hazardous pollutant
1,2,4,6,7,8-Hexachlorodibenzofuran 0.489 ~   suspected hazardous pollutant
2,3,4,6,7,8-Hexachlorodibenzofuran 0.501 *   suspected hazardous pollutant
Hexachlorophene 0.495 ~   disinfectant
Hexamidine 0.134     antiseptic, disinfectant
Hydroquinone 0.141     reducing agent
7-Hydroxy-2,3-dichlorodibenzo-p-dioxin 0.495 ~   suspected hazardous pollutant
8-Hydroxy-2,3-dichlorodibenzofuran 0.479 ~   suspected hazardous pollutant
6α-Hydroxyestradiol 0.503 *   estradiol metabolite
8-Hydroxyquinoline 0.286     chelating agent
Hydroxystilbamidine 0.083     fluorescent dye
2-Hydroxy-3,7,8-trichlorodibenzo-p-dioxin 0.521 *   suspected hazardous pollutant
8-Hydroxy-2,3,4-trichlorodibenzofuran 0.510 *   suspected hazardous pollutant
Imidacloprid 0.259     neo-nicotinoid insecticide
Indanthrene blue RS 0.594 *   anthraquinone dye
Indene 0.159     flammable polyciclic hydrocarbon
Indigo 0.274     indigo dye: banned in Norway
Iobenzamic acid 0.709 *** TRβ contrast medium
Iocetamic acid (R/S) 0.419 / 0.386 ~   contrast medium
Iodamide 0.225     contrast medium
7-Iodo-2,3-dichlorodibenzo-p-dioxin 0.502 *   suspected hazardous pollutant
2-Iodo-3,7,8-trichlorodibenzo-p-dioxin 0.535 *   suspected hazardous pollutant
8-Iodo-2,3-dichlorodibenzofuran 0.488 ~   suspected hazardous pollutant
8-Iodo-2,3,4-trichlorodibenzofuran 0.525 *   suspected hazardous pollutant
Iotalamic acid 0.164     contrast medium
Isobenzofuran 0.174      
Isoflavonoide 0.467 ~   synthetic flavone
Isoindole 0.170      
Isophtalic acid 0.128      
8-Isopropyl-2,3-dichlorodibenzofuran 0.487 ~   suspected hazardous pollutant
8-Isopropyl-2,3,4-trichlorodibenzofuran 0.506 *   suspected hazardous pollutant
Isoquinoline 0.261      
Isosafrole 0.334     aromatic organic chemical
Lipoamide 0.294      
Lucifer yellow 0.018     flourescent dye
Lumiflavin 0.157     toxic product of the photolysis of vitamin B2
Luminol 0.240     chemical exhibiting chemiluminescence
Melamine 0.000     plastic material
Menadione 0.354     aromatic ketone
Merocyanine I 0.317     fluorescent dye
3'-Methoxy-4'-aminoflavone 0.483 ~    
7-Methoxycarbonyl-2,3-dichlorodibenzo-p-dioxin 0.575 *   suspected hazardous pollutant
Methoxychlor 0.497 ~   insecticide
7-Methoxy-2,3-dichlorodibenzo-p-dioxin 0.482 ~   suspected hazardous pollutant
8-Methoxy-2,3-dichlorodibenzofuran 0.393     suspected hazardous pollutant
8-Methoxyellipticine 0.368      
9-Methoxyellipticine 0.487 ~    
3'-Methoxy-4'-nitro-α-naphthoflavone 0.560 *    
3'-Methoxy-4'-nitroflavone 0.481 ~    
2-Methoxy-3,7,8-trichlorodibenzo-p-dioxin 0.505 *   suspected hazardous pollutant
8-Methoxy-2,3,4-trichlorodibenzofuran 0.458 ~   suspected hazardous pollutant
2-Methylbenzo[a]anthracene 0.515 *   suspected hazardous pollutant
5-Methylbenzo[a]anthracene 0.487 ~   suspected hazardous pollutant
6-Methylbenzo[a]anthracene 0.497 ~   suspected hazardous pollutant
7-Methylbenzo[a]anthracene 0.480 ~   suspected hazardous pollutant
8-Methylbenzo[a]anthracene 0.483 ~   suspected hazardous pollutant
11-Methylbenzo[a]anthracene 0.475 ~   suspected hazardous pollutant
12-Methylbenzo[a]anthracene 0.579     suspected hazardous pollutant
7-Methyl-2,3-dichlorodibenzo-p-dioxin 0.430 ~   suspected hazardous pollutant
8-Methyl-2,3-dichlorodibenzofuran 0.413 ~   suspected hazardous pollutant
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine 0.303     neurotoxin
2-Methyl-3,7,8-trichlorodibenzo-p-dioxin 0.455 ~   suspected hazardous pollutant
8-Methyl-2,3,4-trichlorodibenzofuran 0.428 ~   suspected hazardous pollutant
Michler's ketone 0.572 *   intermediate in the production of dyes
Mirex 0.362     insecticide
Mosher's acid (R/S) 0.313 / 0.345     chrial derivatizing agent
Naphtacenequinone 0.579 *    
Naphtalene 0.298     PAH: carcinogenic in mice and rats
α-Naphthoflavone 0.635 ** AhR  
1,4-Naphthoquinone 0.303     antibacterial and antitumor properties
1-Naphthylamine 0.241     aromatic amine
Neutral red 0.385     eurhodin dye
Nile red 0.472 ~   lipophilic stain
Nitrilotriacetic acid (extremely charged: –3/+1) 0.033     chelating agent
3'-Nitro-α-naphthoflavone 0.668 ** AhR  
4'-Nitro-α-naphthoflavone 0.702 *** AhR  
7-Nitro-2,3-dichlorodibenzo-p-dioxin 0.560 *   suspected hazardous pollutant
2-Nitro-3,7,8-trichlorodibenzo-p-dioxin 0.551 *   suspected hazardous pollutant
Nonylphenol (various isomers) 0.456–0.567 *   surfactant, spermicide
Norbolethone 0.577 *   anabolic steroid
1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin 0.574 *   suspected hazardous pollutant
Octabenzone 0.579 *   UV absorber
Octachlorodperylene-diimide 0.159     organic semiconductor
Octylphenol (linear/branched) 0.507 / 0.386 *   polymer additive, surfactant
Oil Blue A 0.354     anthraquinone dye
Oil Yellow DE 0.524 *   azo dye
Ovalene 0.617 ** AhR PAH
Oxolinic acid 0.218     quinoline antibiotic used in veterinary medicine
Oxypurinol 0.084     xanthine oxidase inhibitor
Padimate-A 0.489 ~   used as UV filter in sunscreens
Padimate-O (R/S) 0.463 / 0.545 *   used as UV filter in sunscreens
Para Red 0.585 *   azo dye
Pendimethalin 0.278     preemergent herbicide
2,3,3',4,4'-Pentachlorobiphenyl 0.487 ~   suspected hazardous pollutant
2,3,4,4',5-Pentachlorobiphenyl 0.448 ~   suspected hazardous pollutant
2,3',4,4',5-Pentachlorobiphenyl 0.474 ~   suspected hazardous pollutant
2',3,4,4',5-Pentachlorobiphenyl 0.469 ~   suspected hazardous pollutant
3,3',4,4',5-Pentachlorobiphenyl 0.480 ~   suspected hazardous pollutant
1,2,3,4,7-Pentachlorodibenzo-p-dioxin 0.496 ~   suspected hazardous pollutant
1,2,3,7,8-Pentachlorodibenzo-p-dioxin 0.497 ~   suspected hazardous pollutant
1,2,4,7,8-Pentachlorodibenzo-p-dioxin 0.492 ~   suspected hazardous pollutant
1,2,3,4,8-Pentachlorodibenzofuran 0.466 ~   suspected hazardous pollutant
1,2,3,7,9-Pentachlorodibenzofuran 0.443 ~   suspected hazardous pollutant
1,2,4,6,7-Pentachlorodibenzofuran 0.470 ~   suspected hazardous pollutant
1,2,4,6,8-Pentachlorodibenzofuran 0.464 ~   suspected hazardous pollutant
1,2,4,7,8-Pentachlorodibenzofuran 0.479 ~   suspected hazardous pollutant
1,2,4,7,9-Pentachlorodibenzofuran 0.451 ~   suspected hazardous pollutant
1,3,4,7,8-Pentachlorodibenzofuran 0.468 ~   suspected hazardous pollutant
Pentacene 0.629 ** AhR PAH
Permethrin (cis/trans) 0.503 / 0.641 ** AhR insecticide, acaricide
Phenanthrene 0.316     PAH found in cigarette smoke: known irritant
Phenazine 0.386     parent substance of many dyestuffs
Phenidone 0.283     photographic developer
Phenol 0.139     antiseptic: developmental toxicity in animals
Phenolphthalein 0.564 *   titration dye
Phenothiazine 0.332     insecticide
Phenothrin (E/Z) 0.513 / 0.495 *   insecticide
Phenylacetylene 0.170     liquid analog of acetylene
7-Phenyl-2,3-dichlorodibenzo-p-dioxin 0.598 *   suspected hazardous pollutant
2-Phenylphenol 0.381     biocide, preservative
4-Phenyl-4-(1-piperidinyl)cyclohexanol 0.477 ~   metabolite of phencyclidine
N-(5-Phenylpyridin-2-yl)benzamide 0.351     firefly luciferase inhibitor
Picene 0.589 *   suspected hazardous pollutant
Picloram 0.320     herbicide
Pipemidic acid 0.239     quinolone
Piromidic acid 0.279     quinolone
Propoxur 0.285     insecticide
Prostanozol 0.580 *   anabolic steroid
Purpuric acid 0.000     complexometric indicator
Purpurine 0.405 ~   antrachinone dye: cancerogenic in rats; cytotoxic
Quinaldine 0.271     quinoline derivative
Quinoline-3-acetic acid 0.418 ~   quinoline derivative
Quinoline-4-acetic acid 0.350     quinoline derivative
Quinoline-6-acetic acid 0.399     quinoline derivative
Quinoline-3-caboxylic acid 0.369     quinoline derivative
Quinoline-4-caboxylic acid 0.345     quinoline derivative
Quinoline-6-caboxylic acid 0.371     quinoline derivative
Quinoxaline 0.273     isomer of quinazoline
2Cl-Rutaecarpine 0.416 ~   synthetic ruteacarpine (alcaloid) derivative
3Cl-Rutaecarpine 0.546 *   synthetic ruteacarpine (alcaloid) derivative
3Br-Rutaecarpine 0.454 ~   synthetic ruteacarpine (alcaloid) derivative
Setoperone 0.556 *   radioligand for studying neuropsychiatric disorders
Simazine 0.173     herbicide
Skatole 0.192     found in coal tar, mammalian feces, beets
Stenbolone 0.617 ** AR anabolic steroid
Styrene 0.143     aromatic hydrocarbon (precursor to polystyrene)
Sudan I 0.509 *   azo dye
Sudan II 0.511 *   azo dye
Sudan III 0.536 *   azo dye
Sulisobenzone 0.316     UV filter in sunscreens
Temefos 0.397     larvicide
7-Tert.butyl-2,3-dichlorodibenzo-p-dioxin 0.544 *   suspected hazardous pollutant
8-Tert.butyl-2,3-dichlorodibenzofuran 0.521 *   suspected hazardous pollutant
8-Tert.butyl-2,3,4-trichlorodibenzofuran 0.535 *   suspected hazardous pollutant
Tetracene 0.541 *   PAH
2,2',4,4'-Tetrachlorobiphenyl 0.451 ~   suspected hazardous pollutant
2,3,4,5-Tetrachlorobiphenyl 0.460 ~   suspected hazardous pollutant
3,3',4,4'-Tetrachlorobiphenyl 0.459 ~   suspected hazardous pollutant
3,4,4',5-Tetrachlorobiphenyl 0.455 ~   suspected hazardous pollutant
1,2,3,4-Tetrachlorodibenzo-p-dioxin 0.458 ~   suspected hazardous pollutant
1,2,3,6-Tetrachlorodibenzofuran 0.434 ~   suspected hazardous pollutant
1,2,3,7-Tetrachlorodibenzofuran 0.442 ~   suspected hazardous pollutant
1,2,4,8-Tetrachlorodibenzofuran 0.439 ~   suspected hazardous pollutant
1,3,7,8-Tetrachlorodibenzo-p-dioxin 0.469 ~   suspected hazardous pollutant
2,3,4,6-Tetrachlorodibenzofuran 0.456 ~   suspected hazardous pollutant
2,3,4,7-Tetrachlorodibenzofuran 0.455 ~   suspected hazardous pollutant
2,3,4,8-Tetrachlorodibenzofuran 0.461 ~   suspected hazardous pollutant
2,3,6,8-Tetrachlorodibenzofuran 0.469 ~   suspected hazardous pollutant
Tetramethrin (cis/trans) 0.292 / 0.465     insecticide
Tetramethylenedisulfotetramine 0.025      
Tetrathiafulvalene 0.259     organosulfur compound
Thiacloprid 0.370     neo-nicotinoid insecticide
Thiondigo 0.343     indigo dye
Tosylchloramide 0.353     antiseptic, disinfectant
2,4,5-Trichlorophenoxyacetic acid 0.542 *   herbicide
1,2,4-Trichlorodibenzo-p-dioxin 0.439 ~   suspected hazardous pollutant
2,3,7-Trichlorodibenzo-p-dioxin 0.467 ~   suspected hazardous pollutant
1,3,6-Trichlorodibenzofuran 0.406 ~   suspected hazardous pollutant
1,3,8-Trichlorodibenzofuran 0.417 ~   suspected hazardous pollutant
2,3,4-Trichlorodibenzofuran 0.427 ~   suspected hazardous pollutant
2,3,8-Trichlorodibenzofuran 0.449 ~   suspected hazardous pollutant
2,6,7-Trichlorodibenzofuran 0.431 ~   suspected hazardous pollutant
Triclocarban 0.487 ~   anti-bacterial/fungal agent (soaps/disinfectants)
Triclosan 0.572 *   antibacterial and antifungal agent
Tricresylphosphate (ortho) 0.185     organophosphate compound
7-Trifluoromethyl-2,3-dichlorodibenzo-p-dioxin 0.608 ** AhR suspected hazardous pollutant
8-Trifluoromethyl-2,3,4-trichlorodibenzofuran 0.610 ** AhR suspected hazardous pollutant
3,4',6-Trihydroxyflavone 0.455 ~   flavone
Triphenylamine 0.532     electroluminescence compound
Triphenylene 0.390     PAH (coal tar)
Triphenylethylene 0.523 *   nonsteroidal antiestrogen
Triphenylphosphate 0.249     plasticizer, flame retardant
Tropinone 0.118     synthetic alkaloid
Vat Yellow 4 (Golden Yellow K) 0.652 ** AhR anthraquinone vat dye
Warfarin 0.274     anticoagulant: various side effects
Xanthone 0.421 ~   insecticide, ovicide
9 Bisphenol A and B are listed in class 1.


13. Pesticides

Compound Toxic potential ToxPot class Main target Comments
Aminopyralid 0.285     non-toxic to birds, fish, honeybees
Anabasine 0.321     insecticide
Azoxystrobin 0.381     fungicide
Beflubutamid 0.546 *   very low toxicity in animals
Brodifacoum (cis/trans) 0.458 / 0.476 ~   rodenticide: highly lethal anticoagulant poison
Bromethalin 0.566 *   rodenticide
Bromoxynil 0.272     moderate acute toxicity; possible carcinogen
Captan 0.351     fungicide
Carbendazim 0.123     WHO: unlikely to present hazard in normal use
Carbofuran 0.242     high acute toxicity in humans
Chlorophacinone (R/S) 0.392 / 0.359     rodenticide
Clodinafop 0.556 *   slightly toxic
Clofentezine 0.595 *   slight acute toxicity, possible carcinogen
Clomazone 0.433 ~   moderate acute toxicity
Clopyralid 0.356     highly toxic
Coumatetralyl 0.375     rodenticide; anticoagulant
Crimidine 0.250     rodenticide
Cyproconazole (RR/RS/SR/SS) 0.613 / 0.623 / 0.569 / 0.610 ** 3A4 mice: carcinogenic; rats: developmental toxicity
Cyprodinil 0.309     acute oral, dermal and inhalation toxicity (EPA: III IV)
Dicamba 0.344     acute toxicity (EPA: III)
2,4-Dichlorophenoxacetic acid 0.478 ~   common pesticide/herbicide
Dichlorprop 0.460 ~   slight acute, high developmental toxicity
Dicofol 0.513 *   miticide
Difenacoum (cis/trans) 0.437 / 0.508 *   rodenticide; anticoagulant
Difethialone 0.368     rodenticide; anticoagulant
Diflubenzuron 0.199     slight acute toxicity
Dimethenamid 0.374     moderate acute toxicity
Dimethomorph (E/Z) 0.484 / 0.397 ~   slight acute toxicity
Dimoxystrobin 0.390      
Diphenadione 0.364     rodenticide
Diuron 0.262     slightly toxic to animals
Endrin 0.318     insecticide
Esfenvalerate 0.483 ~   highly toxic to bees and fish
Ethofumesate 0.092     no genotoxic/carcinogenic potential
Fenamidone 0.477 ~   not toxic to rodents
Fenarimol 0.523 *   slightly toxic to mammals
Fenhexamid 0.474 ~   slightly toxic in rats
Fenpropidin (R/S) 0.292 / 0.330      
Flocoumafen 0.362     rodenticide; anticoagulant
Flonicamid 0.200     low acute toxicity
Fluazinam 0.311      
Fludioxonil 0.363     body-weight decrease; not cancerogenic
Flurprimidol 0.508 *   endocrine disruptor in adrenal cortex and ovary
Fuberidazole 0.365     moderate acute toxicity
Imazalil 0.480 ~   moderate acute toxicity; liver toxicity in animals
Indandione 0.236     rodenticide; anticoagulant
Iprodione 0.234     fungicide
Isoproturon 0.180     slightly hazardous
Isoxaflutole 0.576 *   slight acute toxicity; likely to be a carcinogen
Mecoprop 0.457 ~   slightly toxic; teratogenic to rats
Metachlor (S) 0.376      
Metaldehyd 0.093      
Metazachlor 0.324     low acute, dermal, and inhalation toxicity
Metconazole (RR/RS/SR/SS) 0.607 / 0.656 / 0.658 / 0.672 ** 3A4 liver tumors in mice
Methalaxyl (D/L) 0.450 / 0.350 ~   no mutagenic and teratogenic potential
2-Methyl-4-chlorophenoxyacetic acid (MCPA) 0.453 ~   slightly toxic, restricted use
Metrafenone 0.320     carcinogenic in mice
Myclobutamil (R/S) 0.562 / 0.549 *   slight acute toxicity; toxic to aquatic organisms
Myristicin 0.379     naturally occurring insecticide (nutmeg)
α-Naphthylthiourea 0.272     rodenticide
Napropamide (R/S) 0.451 / 0.456 ~   slightly toxic (EPA: III)
Parathion 0.437 ~   insecticide
Penconazole (R/S) 0.610 / 0.618 ** 3A4 developmental toxicity in rats
Pethoxamid 0.438 ~   hepatotoxic in rats
Phosacetim 0.279     rodenticide
Pindone 0.227     rodenticide
Procymidone 0.344      
Propiconazole (RR/RS/SR/SS) 0.612 / 0.557 / 0.580 / 0.604 ** 3A4  
Propyzamide 0.333     slightly toxic
Prosulfocarb 0.550 *   low dermal and inhalational toxicity
Pymetrozine 0.361     low acute toxicity to humans
Pyraflufen 0.353     highly toxic
Pyridate 0.610 ** AhR low toxicity in rats, rabbits, fish, wildlife
Pyrimethanil 0.239     growth inhibition the of H. uvarum
Pyrinuron 0.286     rodenticide
Quimerac 0.320      
Quinoxufen 0.441 ~    
Spirodiclofen 0.285      
Spiroxamine 0.333      
Sulcotrione 0.235      
Tebufenozide 0.468 ~    
Tebufenpyrad 0.417 ~    
Teflubenzurone 0.216      
Tepraloxydime (RE/RZ/SE/SZ) 0.373 / 0.503 / 0.511 / 0.491 *    
Terbutylazine 0.096      
Tetraconazole (R/S) 0.602 / 0.572 ** AhR  
Tetramethylenedisulfotetramine 0.021     rodenticide
Thiabendazole 0.405 ~    
Thiram 0.290      
Triasulfuron 0.030      
Tribenuron 0.157      
Triclopyr 0.382      
Trifluralin 0.389      
Trinexapac (R/S) 0.371 / 0.286      
Triticonazole (R/S) 0.610 / 0.585 ** 3A4  
Vinclozolin (R/S) 0.358 / 0.341     fungicide
Zoxamide 0.322      


14. Miscellaneous Compounds

Compound Toxic potential ToxPot class Main target Comments
Adrafinil 0.499 ~   central nervous system stimulant: orafacial side effects
Aristolochic acid 0.430 ~   rodent carcinogen
Aspartame 0.457 ~   artificial sweetener
Atropin (R/S) 0.225 / 0.241     anticholinergic: poisonous at high dosage
Deguelin 0.196     rotenoid: anti-cancer activity, no cytotoxicity
Desoxymethyltestosterone 0.493 ~   anabolic steroid
Dextroamphetamine 0.213     psychostimulant: several (including severe) side effects
Ethylestrenol 0.527 *   anabolic steroid
Genistein 0.462 ~   phytoestrogen
Heroin 0.207     semi-synthetic opioid: lethal in overdose
Hyoscyamin 0.299     tropane alkaloid drug: several (including severe) side effects
Medroxyprogesterone 0.532 *   treatment of endometriosis, AMB and amenorrhea
Methadone (R/S) 0.446 / 0.495 ~   analgesic, antitussive, anti-addictive: toxic in overdose
Methandrostenolone 0.519 *   anabolic steroid
N-Methylamphetamine 0.283     psychostimulant: various side effects with chronic use
Methyltestosterone 0.563 *   anabolic steroid
Mifepristone 0.678 ** GR+PR abortifacient: various serious side effects
Norethisterone 0.596 *   oral contraceptive: various side effects
Norethynodrel 0.583 *   oral contraceptive
Pentobarbital (R/S) 0.142 / 0.146     short-acting barbiturate: euthanasiant
Pregnenolone 0.512 *   steroid hormone (prohormone)
Quinine 0.084     antimalarial, analgesic: cinchonism
3-Quinuclidinyl benzilate 0.359     incapacitating agent
Scopolamine 0.325     tropane alkaloid drug: several side effects
Sildenafil 0.455 ~   lifestyle drug: rare but severe side effects
Tadalafil 0.490 ~   lifestyle drug: various side effects
Tetrahydrocannabinol 0.405 ~   psychoactive substance: mutagenic (AMES); neurobehavioral toxicity
Vardenafil 0.416 ~   lifestyle drug: various side effects
Yohimbin 0.305     aphrodisiac: significant side effects; dangerous at high dosage


15. Doping: banned compounds10

Compound Toxic potential ToxPot class Main target Comments
Amiphenazole 0.218     respiratory stimulant
Amphetamine (R/S) 0.219 / 0.241     performance enhancer
Androstenediol (4-/5-) 0.614/ 0.613 ** AR+ERβ steroid (metabolite of DHEA)
Androstenedione 0.451 ~   steroid hormone (adrenal glands)
Benzphetamine 0.372     anti-obesity drug
Boldenone 0.558 *   anabolic steroid (developed for veterinary use)
Chlorphentermine 0.300     appetite suppressant
Clostebol 0.557     anabolic androgenic steroid
Dehydrochloromethyltestosterone 0.544     anabolic steroid
Diethylcathinone (R/S) 0.370 / 0.394     appetite suppressant
Dihydrotestosterone 0.575 *   biologically active metabolite of testosterone
Dimethylamphetamine (R/S) 0.252 / 0.265     stimulant drug
Doxapram 0.550 *   respiratory stimulant
Drostanolone 0.573 *   anabolic steroid
Ephedrine 0.364     stimulant
Ethamivan 0.384     respiratory stimulant
Ethylamphetamine (R/S) 0.276 / 0.312     stimulant drug
Fencamfamine 0.325     appetite suppressant
Fentermine (Phentermine) 0.213     appetite suppressant
Fluoxymesterone 0.466 ~   androgen to increase strength and aggression
Nandrolone 0.554 *   anabolic steroid
Norandrostenediol 0.604 ** AR anabolic steroid
Norandrostenedione 0.380     anabolic steroid
Norethandrolone 0.586 *   anabolic steroid
Oxandrolone 0.593 *   anabolic steroid
Oxymesterone 0.545 *   anabolic steroid
Oxymetholone 0.470 ~   anabolic steroid
Pentylenetetrazol 0.339     respiratory stimulant
Phendimetrazine 0.362     weight loss medication
Phenmetrazine 0.364     CNS stimulant, anorectic drug
Picrotoxinin 0.093     active component of picrotoxin
Pipradol 0.578 *   mild CNS stimulant
Prolintane (R/S) 0.397 / 0.376     psychostimulant, nootropic drug
Stanozolol 0.605 ** AR anabolic steroid
Synephrine (R/S) 0.342 / 0.383     stimulant
Testosterone 0.573 *   steroid hormone
Tetrahydrogestrinone (THG, "The Clear") 0.610 ** AR anabolic steroid
Trenbolone 0.559 *   synthetic steroid hormone: affects reproduction
10 Other banned compounds are listed in classes 1, 4, 6–8, 12 and 14.




Last update of this page: March 5, 2016