| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| lovastatin | [no description available] | medium | 3 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| simvastatin | [no description available] | medium | 3 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
| atorvastatin | [no description available] | medium | 1 | 0 | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic |
| mevastatin | [no description available] | medium | 2 | 0 | 2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite |
| pravastatin sodium | [no description available] | medium | 2 | 0 | organic sodium salt;
statin (semi-synthetic) | anticholesteremic drug |
| xu 62-320 | [no description available] | medium | 3 | 0 | | |
| nk 104 | [no description available] | medium | 1 | 0 | calcium salt;
statin (synthetic) | antioxidant |
| rosuvastatin calcium | [no description available] | medium | 3 | 0 | N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt | anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor |
| sulfobromophthalein sodium | [no description available] | medium | 1 | 0 | organic sodium salt | dye |
| digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid;
steroid sulfate | human metabolite;
mouse metabolite |
| melatonin | [no description available] | medium | 1 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
| pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| 1-(3-chlorophenyl)piperazine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-arylpiperazine | drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic |
| tacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| acetaminophen | [no description available] | medium | 1 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| albendazole | [no description available] | medium | 1 | 0 | aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator |
| albuterol | [no description available] | medium | 1 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| alprenolol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides;
benzoic acids;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| aminoglutethimide | [no description available] | medium | 1 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| theophylline | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
| amiodarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug |
| dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone | environmental contaminant;
second generation antipsychotic;
xenobiotic |
| amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| amlexanox | [no description available] | medium | 1 | 0 | monocarboxylic acid;
pyridochromene | anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug |
| amlodipine | [no description available] | medium | 1 | 0 | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| amsacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| anastrozole | [no description available] | medium | 1 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
| antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| aspirin | [no description available] | medium | 1 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| astemizole | [no description available] | medium | 1 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| atenolol | [no description available] | medium | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| azathioprine | [no description available] | medium | 1 | 0 | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug |
| baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| benzocaine | [no description available] | medium | 1 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
| bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | |
| bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls;
imidazoles | |
| bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
| bromopride | [no description available] | medium | 1 | 0 | benzamides | |
| bronopol | [no description available] | medium | 1 | 0 | nitro compound | |
| bumetanide | [no description available] | medium | 1 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| busulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| caffeine | [no description available] | medium | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| verapamil | [no description available] | medium | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| carbamazepine | [no description available] | medium | 1 | 0 | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic |
| carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| carprofen | [no description available] | medium | 1 | 0 | carbazoles;
organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent |
| carvedilol | [no description available] | medium | 1 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
| celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chlordiazepoxide | [no description available] | medium | 1 | 0 | benzodiazepine | |
| chloroquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug |
| chlorpheniramine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor |
| chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| chlorpropamide | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles;
monochlorobenzenes;
sulfonamide | |
| chlorzoxazone | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| cifenline | [no description available] | medium | 1 | 0 | diarylmethane | |
| ciclopirox | [no description available] | medium | 1 | 0 | cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone | antibacterial agent;
antiseborrheic |
| ciglitazone | [no description available] | medium | 1 | 0 | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug |
| cilostazol | [no description available] | medium | 1 | 0 | lactam;
tetrazoles | anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| ciprofibrate | [no description available] | medium | 1 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| ciprofloxacin | [no description available] | medium | 1 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
| citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| clioquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator |
| clobazam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
GABA modulator |
| clofazimine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phenazines | dye;
leprostatic drug;
non-steroidal anti-inflammatory drug |
| clofibrate | [no description available] | medium | 1 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| clomiphene | [no description available] | medium | 1 | 0 | tertiary amine | estrogen antagonist;
estrogen receptor modulator |
| clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor |
| 4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| dapsone | [no description available] | medium | 1 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| desipramine | [no description available] | medium | 1 | 0 | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor |
| diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| diazoxide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfone | antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent |
| dipyridamole | [no description available] | medium | 1 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disopyramide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug |
| disulfiram | [no description available] | medium | 1 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| domperidone | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| donepezil | [no description available] | medium | 1 | 0 | aromatic ether;
indanones;
piperidines;
racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent |
| doxepin | [no description available] | medium | 1 | 0 | dibenzooxepine;
tertiary amino compound | antidepressant |
| ebastine | [no description available] | medium | 1 | 0 | organic molecular entity | |
| enoxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| ethosuximide | [no description available] | medium | 1 | 0 | dicarboximide;
pyrrolidinone | anticonvulsant;
geroprotector;
T-type calcium channel blocker |
| brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines;
acetate ester | antiviral drug;
prodrug |
| 4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| fleroxacin | [no description available] | medium | 1 | 0 | difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines | antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| flucytosine | [no description available] | medium | 1 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| flumazenil | [no description available] | medium | 1 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| fluorescite | [no description available] | medium | 1 | 0 | benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye | fluorescent dye;
radioopaque medium |
| fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| flutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
| gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
| gliclazide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent;
insulin secretagogue;
radical scavenger |
| glimepiride | [no description available] | medium | 1 | 0 | sulfonamide | |
| glipizide | [no description available] | medium | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue |
| glyburide | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent |
| guanfacine | [no description available] | medium | 1 | 0 | acetamides | |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic |
| hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indapamide | [no description available] | medium | 1 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| indomethacin | [no description available] | medium | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| iproniazid | [no description available] | medium | 1 | 0 | carbohydrazide;
pyridines | |
| avapro | [no description available] | medium | 1 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| isradipine | [no description available] | medium | 1 | 0 | benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester | |
| itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
| ketamine | [no description available] | medium | 1 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
| ketanserin | [no description available] | medium | 1 | 0 | aromatic ketone;
organofluorine compound;
piperidines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist |
| ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
| lamotrigine | [no description available] | medium | 1 | 0 | 1,2,4-triazines;
dichlorobenzene;
primary arylamine | anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic |
| lansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| leflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor |
| letrozole | [no description available] | medium | 1 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| lofepramine | [no description available] | medium | 1 | 0 | aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound | antidepressant |
| lomustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| maprotiline | [no description available] | medium | 1 | 0 | anthracenes | |
| mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
| mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| metformin | [no description available] | medium | 1 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| metoclopramide | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic |
| metoprolol | [no description available] | medium | 1 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic |
| metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| mexiletine | [no description available] | medium | 1 | 0 | aromatic ether;
primary amino compound | anti-arrhythmia drug |
| midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative |
| minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
| mirtazapine | [no description available] | medium | 1 | 0 | benzazepine;
tetracyclic antidepressant | alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist |
| moclobemide | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
morpholines | antidepressant;
environmental contaminant;
xenobiotic |
| acecainide | [no description available] | medium | 1 | 0 | acetamides;
benzamides | anti-arrhythmia drug |
| nadolol | [no description available] | medium | 1 | 0 | tetralins | |
| nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| nefazodone | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor |
| nefopam | [no description available] | medium | 1 | 0 | benzoxazocine;
tertiary amino compound | |
| neostigmine | [no description available] | medium | 1 | 0 | quaternary ammonium ion | antidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nicardipine | [no description available] | medium | 1 | 0 | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| nimesulide | [no description available] | medium | 1 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester | antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent |
| nisoldipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester | |
| nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound | anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative |
| nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
| nortriptyline | [no description available] | medium | 1 | 0 | organic tricyclic compound;
secondary amine | adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite |
| ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| omeprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| ondansetron | [no description available] | medium | 1 | 0 | carbazoles | |
| oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| oxybutynin | [no description available] | medium | 1 | 0 | acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound | antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic |
| papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent |
| pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
| pentamidine | [no description available] | medium | 1 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| phenacetin | [no description available] | medium | 1 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| pindolol | [no description available] | medium | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| pioglitazone | [no description available] | medium | 1 | 0 | aromatic ether;
pyridines;
thiazolidinediones | antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic |
| piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| piribedil | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| ono 1078 | [no description available] | medium | 1 | 0 | chromones | |
| pyranoprofen | [no description available] | medium | 1 | 0 | pyridochromene | |
| praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
| prazosin | [no description available] | medium | 1 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| primaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial |
| primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| probenecid | [no description available] | medium | 1 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker |
| prochlorperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines | alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic |
| procyclidine | [no description available] | medium | 1 | 0 | pyrrolidines;
tertiary alcohol | antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist |
| promethazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| propafenone | [no description available] | medium | 1 | 0 | aromatic ketone;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug |
| propranolol | [no description available] | medium | 1 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| ranitidine | [no description available] | medium | 1 | 0 | aralkylamine | |
| riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
| risperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist |
| rofecoxib | [no description available] | medium | 1 | 0 | butenolide;
sulfone | analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| sulfadiazine | [no description available] | medium | 1 | 0 | pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic |
| sotalol | [no description available] | medium | 1 | 0 | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic |
| imatinib | [no description available] | medium | 1 | 0 | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| sulfamethoxazole | [no description available] | medium | 1 | 0 | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic |
| sulfanitran | [no description available] | medium | 1 | 0 | sulfonamide | |
| sulfasalazine | [no description available] | medium | 1 | 0 | | |
| sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen |
| sumatriptan | [no description available] | medium | 1 | 0 | sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent |
| gatifloxacin | [no description available] | medium | 1 | 0 | N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| tazarotene | [no description available] | medium | 1 | 0 | acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane | keratolytic drug;
prodrug;
teratogenic agent |
| temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug |
| terazosin | [no description available] | medium | 1 | 0 | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| terbutaline | [no description available] | medium | 1 | 0 | phenylethanolamines;
resorcinols | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent |
| terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
| thiotepa | [no description available] | medium | 1 | 0 | aziridines | |
| tiapride | [no description available] | medium | 1 | 0 | benzamides | |
| tilorone | [no description available] | medium | 1 | 0 | aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound | anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist |
| tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| tizanidine | [no description available] | medium | 1 | 0 | benzothiadiazole;
imidazoles | alpha-adrenergic agonist;
muscle relaxant |
| nikethamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
| tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
| trazodone | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine | adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic;
sodium channel blocker |
| trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| troglitazone | [no description available] | medium | 1 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
| thenoyltrifluoroacetone | [no description available] | medium | 1 | 0 | | |
| undecylenic acid | [no description available] | medium | 1 | 0 | undecenoic acid | antifungal drug;
plant metabolite |
| urapidil | [no description available] | medium | 1 | 0 | piperazines | |
| venlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound | adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic |
| vigabatrin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
| pirinixic acid | [no description available] | medium | 1 | 0 | aryl sulfide;
organochlorine compound;
pyrimidines | |
| ici 204,219 | [no description available] | medium | 1 | 0 | carbamate ester;
indoles;
N-sulfonylcarboxamide | anti-asthmatic agent;
leukotriene antagonist |
| zaleplon | [no description available] | medium | 1 | 0 | nitrile;
pyrazolopyrimidine | anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative |
| zonisamide | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles;
sulfonamide | anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker |
| zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine;
pyrrolopyrazine | central nervous system depressant;
sedative |
| prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| reserpine | [no description available] | medium | 1 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
| penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
| carbon tetrachloride | [no description available] | medium | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| tubocurarine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid | drug allergen;
muscle relaxant;
nicotinic antagonist |
| apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
| kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
| levodopa | [no description available] | medium | 1 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
| colchicine | [no description available] | medium | 1 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| triamcinolone diacetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
| medroxyprogesterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive |
| triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| phenformin | [no description available] | medium | 1 | 0 | biguanides | antineoplastic agent;
geroprotector;
hypoglycemic agent |
| aminophylline | [no description available] | medium | 1 | 0 | mixture | bronchodilator agent;
cardiotonic drug |
| galantamine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite |
| procarbazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
| betamethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent |
| emetine | [no description available] | medium | 1 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
| dimenhydrinate | [no description available] | medium | 1 | 0 | diarylmethane | |
| 1-naphthylisothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | insecticide |
| megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone;
erythromycin | |
| hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
| levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive |
| ethambutol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antitubercular agent |
| antimycin a | [no description available] | medium | 1 | 0 | benzamides;
formamides;
macrodiolide;
phenols | antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide |
| pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
| metylperon | [no description available] | medium | 1 | 0 | aromatic ketone | |
| stavudine | [no description available] | medium | 1 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| dicloxacillin | [no description available] | medium | 1 | 0 | dichlorobenzene;
penicillin | antibacterial drug |
| cladribine | [no description available] | medium | 1 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| metocurine | [no description available] | medium | 1 | 0 | isoquinolines | |
| etidronate disodium | [no description available] | medium | 1 | 0 | organic sodium salt | antineoplastic agent;
bone density conservation agent;
chelator |
| zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| camptothecin | [no description available] | medium | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| mafenide acetate | [no description available] | medium | 1 | 0 | carboxylic acid | |
| diacerein | [no description available] | medium | 1 | 0 | anthraquinone | |
| selegiline hydrochloride, (r)-isomer | [no description available] | medium | 1 | 0 | hydrochloride;
terminal acetylenic compound | antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| thiamphenicol | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfone | antimicrobial agent;
immunosuppressive agent |
| pancuronium bromide | [no description available] | medium | 1 | 0 | bromide salt | cholinergic antagonist;
muscle relaxant;
nicotinic antagonist |
| ornidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol | antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope |
| danazol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| fludarabine phosphate | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate | antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug |
| benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
monocarboxylic acid amide | antiprotozoal drug |
| amoxicillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| indoramin | [no description available] | medium | 1 | 0 | tryptamines | |
| oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone;
dibenzoazepine | anticonvulsant;
drug allergen |
| carbidopa | [no description available] | medium | 1 | 0 | catechols;
hydrazines;
monocarboxylic acid | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| zidovudine | [no description available] | medium | 1 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| feprazone | [no description available] | medium | 1 | 0 | organic molecular entity | |
| tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin |
| paclitaxel | [no description available] | medium | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| etoposide | [no description available] | medium | 1 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| amikacin | [no description available] | medium | 1 | 0 | alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide | antibacterial drug;
antimicrobial agent;
nephrotoxin |
| diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| vecuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt;
quaternary ammonium salt | muscle relaxant;
neuromuscular agent;
nicotinic antagonist |
| nitazoxanide | [no description available] | medium | 1 | 0 | benzamides;
carboxylic ester | |
| acarbose | [no description available] | medium | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent |
| lorcainide | [no description available] | medium | 1 | 0 | acetamides | |
| captopril | [no description available] | medium | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| staurosporine | [no description available] | medium | 1 | 0 | indolocarbazole alkaloid;
organic heterooctacyclic compound | apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector |
| foscarnet sodium | [no description available] | medium | 1 | 0 | one-carbon compound;
organic sodium salt | antiviral drug |
| atracurium besylate | [no description available] | medium | 1 | 0 | organosulfonate salt;
quaternary ammonium salt | muscle relaxant;
nicotinic antagonist |
| nicorandil | [no description available] | medium | 1 | 0 | nitrate ester;
pyridinecarboxamide | potassium channel opener;
vasodilator agent |
| pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug;
dopamine agonist;
geroprotector |
| cefadroxil anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
| talniflumate | [no description available] | medium | 1 | 0 | benzofurans | |
| fenoldopam mesylate | [no description available] | medium | 1 | 0 | benzazepine | |
| cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| pefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor |
| cefotetan | [no description available] | medium | 1 | 0 | | |
| flupirtine | [no description available] | medium | 1 | 0 | aminopyridine | |
| enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| stepronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| idazoxan | [no description available] | medium | 1 | 0 | benzodioxine;
imidazolines | alpha-adrenergic antagonist |
| remoxipride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| cabergoline | [no description available] | medium | 1 | 0 | N-acylurea | antineoplastic agent;
antiparkinson drug;
dopamine agonist |
| atomoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic uptake inhibitor;
antidepressant |
| quinapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| mifepristone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
| finasteride | [no description available] | medium | 1 | 0 | 3-oxo steroid;
aza-steroid;
delta-lactam | androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
| imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent;
interferon inducer |
| sertindole | [no description available] | medium | 1 | 0 | heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole | alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist |
| adapalene | [no description available] | medium | 1 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid | dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug |
| aromasil | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic |
| sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | |
| zileuton | [no description available] | medium | 1 | 0 | 1-benzothiophenes;
ureas | anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug |
| cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent |
| bromfenac | [no description available] | medium | 1 | 0 | aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gemcitabine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
organofluorine compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent |
| aripiprazole | [no description available] | medium | 1 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist |
| lamivudine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| duloxetine hydrochloride | [no description available] | medium | 1 | 0 | duloxetine hydrochloride | antidepressant |
| valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| zolmitriptan | [no description available] | medium | 1 | 0 | oxazolidinone;
tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines;
carbonate ester;
ether;
organic phosphonate | antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug |
| emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| paroxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| bupropion hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| trazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| doxazosin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | geroprotector |
| efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor |
| bupivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
racemate | adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic |
| plerixafor | [no description available] | medium | 1 | 0 | azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound | anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant |
| amprenavir | [no description available] | medium | 1 | 0 | carbamate ester;
sulfonamide;
tetrahydrofuryl ester | antiviral drug;
HIV protease inhibitor |
| ticlopidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| epirubicin hydrochloride | [no description available] | medium | 1 | 0 | | |
| pazufloxacin | [no description available] | medium | 1 | 0 | quinolines | |
| repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
| telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| miconazole nitrate | [no description available] | medium | 1 | 0 | | |
| zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
imidazoles | bone density conservation agent |
| artemisinin | [no description available] | medium | 1 | 0 | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite |
| brinzolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thienothiazine | antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| drospirenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
steroid lactone | aldosterone antagonist;
contraceptive drug;
progestin |
| artemether | [no description available] | medium | 1 | 0 | artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid | antimalarial |
| uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker |
| hp 873 | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist |
| loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
| voriconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug | P450 inhibitor |
| betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| uroxatral | [no description available] | medium | 1 | 0 | hydrochloride | |
| aceclofenac | [no description available] | medium | 1 | 0 | amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| thiocolchicoside | [no description available] | medium | 1 | 0 | glycoside | |
| doripenem | [no description available] | medium | 1 | 0 | carbapenems | |
| rosiglitazone | [no description available] | medium | 1 | 0 | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug |
| tamiflu | [no description available] | medium | 1 | 0 | phosphate salt | |
| bexarotene | [no description available] | medium | 1 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent |
| s20098 | [no description available] | medium | 1 | 0 | acetamides | |
| flunisolide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone | anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent |
| ketorolac tromethamine | [no description available] | medium | 1 | 0 | organoammonium salt | analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor |
| clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic |
| nicotine | [no description available] | medium | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic |
| gliquidone | [no description available] | medium | 1 | 0 | isoquinolines | |
| lopinavir | [no description available] | medium | 1 | 0 | amphetamines;
dicarboxylic acid diamide | anticoronaviral agent;
antiviral drug;
HIV protease inhibitor |
| moxifloxacin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antibacterial drug |
| fulvestrant | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide | antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist |
| mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
| sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
| bosentan anhydrous | [no description available] | medium | 1 | 0 | primary alcohol;
pyrimidines;
sulfonamide | antihypertensive agent;
endothelin receptor antagonist |
| racecadotril | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| tadalafil | [no description available] | medium | 1 | 0 | benzodioxoles;
pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
| plavix | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt;
organoammonium sulfate salt | anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| clofarabine | [no description available] | medium | 1 | 0 | adenosines;
organofluorine compound | antimetabolite;
antineoplastic agent |
| pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles;
diamine | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger |
| valdecoxib | [no description available] | medium | 1 | 0 | isoxazoles;
sulfonamide | antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| mk 0663 | [no description available] | medium | 1 | 0 | bipyridines;
organochlorine compound;
sulfone | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| gefitinib | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist |
| methotrexate | [no description available] | medium | 1 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
| sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
| olmesartan medoxomil | [no description available] | medium | 1 | 0 | biphenyls | |
| abiraterone | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines | antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor |
| febuxostat | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
| lexapro | [no description available] | medium | 1 | 0 | | |
| docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone;
tetracyclic diterpenoid | antimalarial;
antineoplastic agent;
photosensitizing agent |
| levofloxacin | [no description available] | medium | 1 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| ezetimibe | [no description available] | medium | 1 | 0 | azetidines;
beta-lactam;
organofluorine compound | anticholesteremic drug;
antilipemic drug;
antimetabolite |
| cox 189 | [no description available] | medium | 1 | 0 | amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| xamoterol | [no description available] | medium | 1 | 0 | morpholines | |
| naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| atropine | [no description available] | medium | 1 | 0 | | |
| ramelteon | [no description available] | medium | 1 | 0 | indanes | |
| deferasirox | [no description available] | medium | 1 | 0 | benzoic acids;
monocarboxylic acid;
phenols;
triazoles | iron chelator |
| bms204352 | [no description available] | medium | 1 | 0 | | |
| tbc-11251 | [no description available] | medium | 1 | 0 | benzodioxoles | |
| tolvaptan | [no description available] | medium | 1 | 0 | benzazepine;
benzenedicarboxamide | aquaretic;
vasopressin receptor antagonist |
| lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator |
| lacosamide | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| vincaleukoblastine | [no description available] | medium | 1 | 0 | acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite |
| vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent;
geroprotector |
| wortmannin | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound | anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent |
| bortezomib | [no description available] | medium | 1 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
| ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| pentostatin | [no description available] | medium | 1 | 0 | coformycins | antimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor |
| quinidine | [no description available] | medium | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker |
| meropenem | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen |
| digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
| perindopril erbumine | [no description available] | medium | 1 | 0 | addition compound | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| miglitol | [no description available] | medium | 1 | 0 | piperidines | |
| rocuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt;
quaternary ammonium salt | muscle relaxant;
neuromuscular agent |
| linezolid | [no description available] | medium | 1 | 0 | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor |
| pemirolast potassium salt | [no description available] | medium | 1 | 0 | | |
| eplerenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester | aldosterone antagonist;
antihypertensive agent |
| ao 128 | [no description available] | medium | 1 | 0 | organic molecular entity | |
| loteprednol etabonate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester | anti-inflammatory drug |
| fluticasone propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester | adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug |
| tretinoin | [no description available] | medium | 1 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor |
| zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| decitabine | [no description available] | medium | 1 | 0 | 2'-deoxyribonucleoside | |
| teniposide | [no description available] | medium | 1 | 0 | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| valrubicin | [no description available] | medium | 1 | 0 | anthracycline;
trifluoroacetamide | |
| melphalan | [no description available] | medium | 1 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| posaconazole | [no description available] | medium | 1 | 0 | aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles | trypanocidal drug |
| rubitecan | [no description available] | medium | 1 | 0 | C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
| arginine vasopressin | [no description available] | medium | 1 | 0 | vasopressin | cardiovascular drug;
hematologic agent;
mitogen |
| trilostane | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile | abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
| leuprolide acetate | [no description available] | medium | 1 | 0 | acetate salt | antineoplastic agent;
gonadotropin releasing hormone agonist |
| propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| levosulpiride | [no description available] | medium | 1 | 0 | sulpiride | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant;
sedative |
| methimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
| cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane;
N-alkylpiperazine;
olefinic compound | anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist |
| sulindac | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
| epalrestat | [no description available] | medium | 1 | 0 | monocarboxylic acid;
thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| drotaverin | [no description available] | medium | 1 | 0 | isoquinolines | |
| tamoxifen | [no description available] | medium | 1 | 0 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| fusidic acid | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor |
| valinomycin | [no description available] | medium | 1 | 0 | cyclodepsipeptide;
macrocycle | antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore |
| hmr 3647 | [no description available] | medium | 1 | 0 | | |
| latoconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug | |
| maraviroc | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| toremifene citrate | [no description available] | medium | 1 | 0 | stilbenoid | anticoronaviral agent |
| nelarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside | antineoplastic agent;
DNA synthesis inhibitor;
prodrug |
| gestodene | [no description available] | medium | 1 | 0 | steroid | estrogen |
| orlistat | [no description available] | medium | 1 | 0 | beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative | anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
| azilect | [no description available] | medium | 1 | 0 | | |
| dasatinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic |
| tolcapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
benzophenones;
catechols | antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| quercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
| calcitriol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxycalciol;
triol | antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical |
| alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent |
| vitamin d 2 | [no description available] | medium | 1 | 0 | hydroxy seco-steroid;
seco-ergostane;
vitamin D | bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide |
| pulmicort | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
bronchodilator agent;
drug allergen |
| oxymetholone | [no description available] | medium | 1 | 0 | | |
| eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
| dexchlorpheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mycophenolate mofetil | [no description available] | medium | 1 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
| entacapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| l 660,711 | [no description available] | medium | 1 | 0 | quinolines | |
| travoprost | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha | antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist |
| tranilast | [no description available] | medium | 1 | 0 | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent |
| imipenem | [no description available] | medium | 1 | 0 | carbapenems | |
| etretinate | [no description available] | medium | 1 | 0 | enoate ester;
ethyl ester;
retinoid | keratolytic drug |
| isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| ketotifen fumarate | [no description available] | medium | 1 | 0 | organoammonium salt | anti-asthmatic drug;
H1-receptor antagonist |
| dinoprost tromethamine | [no description available] | medium | 1 | 0 | organic molecular entity | |
| terbinafine hydrochloride | [no description available] | medium | 1 | 0 | allylamine antifungal drug;
hydrochloride | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor |
| cyclosporine | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
| natamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic | antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug |
| acitretin | [no description available] | medium | 1 | 0 | acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid | keratolytic drug |
| levetiracetam | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | anticonvulsant;
environmental contaminant;
xenobiotic |
| nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| topiramate | [no description available] | medium | 1 | 0 | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker |
| demycarosylturimycin h | [no description available] | medium | 1 | 0 | | |
| acipimox | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | |
| atosiban | [no description available] | medium | 1 | 0 | oligopeptide | |
| bimatoprost | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antiglaucoma drug;
antihypertensive agent |
| latanoprost | [no description available] | medium | 1 | 0 | isopropyl ester;
prostaglandins Falpha;
triol | antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug |
| nateglinide | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
| (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
indoles;
organofluorine compound | |
| molsidomine | [no description available] | medium | 1 | 0 | ethyl ester;
morpholines;
oxadiazole;
zwitterion | antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent |
| butorphanol | [no description available] | medium | 1 | 0 | morphinane alkaloid | antitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic |
| cefixime | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| ramipril | [no description available] | medium | 1 | 0 | azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester | bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug |
| indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor |
| enalapril maleate | [no description available] | medium | 1 | 0 | maleate salt | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| enalaprilat anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| trandolapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| pregabalin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
calcium channel blocker |
| alvimopan anhydrous | [no description available] | medium | 1 | 0 | peptide | |
| famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| cci 15641 | [no description available] | medium | 1 | 0 | cephalosporin | |
| tenofovir disoproxil fumarate | [no description available] | medium | 1 | 0 | fumarate salt | antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| dexbrompheniramine maleate | [no description available] | medium | 1 | 0 | brompheniramine maleate | anti-allergic agent;
H1-receptor antagonist |
| rifaximin | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative | antimicrobial agent;
gastrointestinal drug;
orphan drug |
| everolimus | [no description available] | medium | 1 | 0 | cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol | anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| cefpodoxime proxetil | [no description available] | medium | 1 | 0 | carboxylic acid;
carboxylic ester;
cephalosporin | antibacterial drug;
prodrug |
| fluphenazine | [no description available] | medium | 1 | 0 | | |
| nitrofurantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant;
xenobiotic |
| cefdinir | [no description available] | medium | 1 | 0 | cephalosporin;
ketoxime | antibacterial drug |
| bisoprolol, fumarate (1:1) salt | [no description available] | medium | 1 | 0 | | |
| artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid | antimalarial;
antineoplastic agent;
ferroptosis inducer |
| etoposide phosphate | [no description available] | medium | 1 | 0 | furonaphthodioxole | |
| ciclesonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
| temsirolimus | [no description available] | medium | 1 | 0 | macrolide lactam | |
| dutasteride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aza-steroid;
delta-lactam | antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
| tekturna | [no description available] | medium | 1 | 0 | fumarate salt | antihypertensive agent |
| vildagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| sgd 301-76 | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt | antiinfective agent |
| fluvoxamine maleate | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
| thioacetazone | [no description available] | medium | 1 | 0 | | |
| dexlansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles;
sulfoxide | |
| gemifloxacin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antimicrobial agent;
topoisomerase IV inhibitor |
| rivaroxaban | [no description available] | medium | 1 | 0 | aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| hki 272 | [no description available] | medium | 1 | 0 | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| tofacitinib | [no description available] | medium | 1 | 0 | N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound | antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| pazopanib | [no description available] | medium | 1 | 0 | aminopyrimidine;
indazoles;
sulfonamide | angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist |
| amg 009 | [no description available] | medium | 1 | 0 | | |
| cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| losartan potassium | [no description available] | medium | 1 | 0 | | |
| dactolisib | [no description available] | medium | 1 | 0 | imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| rabeprazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| bivalirudin | [no description available] | medium | 1 | 0 | polypeptide | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor |
| somatostatin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide;
peptide hormone | |
| ly-146032 | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide | antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics |
| warfarin sodium | [no description available] | medium | 1 | 0 | | |
| alendronate sodium | [no description available] | medium | 1 | 0 | | |
| sl 80.0750 | [no description available] | medium | 1 | 0 | | |
| mesna | [no description available] | medium | 1 | 0 | organosulfonic acid | |
| clavulanate potassium | [no description available] | medium | 1 | 0 | potassium salt | antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor |
| piperacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| oxacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefazolin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| azlocillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| tetracycline | [no description available] | medium | 1 | 0 | | |
| piroxicam | [no description available] | medium | 1 | 0 | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| roquinimex | [no description available] | medium | 1 | 0 | aromatic amide | |
| mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| mobiflex | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| isoxicam | [no description available] | medium | 1 | 0 | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug |
| minocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| tigecycline | [no description available] | medium | 1 | 0 | | |
| lornoxicam | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| rifampin | [no description available] | medium | 1 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| clozapine | [no description available] | medium | 1 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
| didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor |
| ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| valtrex | [no description available] | medium | 1 | 0 | organic molecular entity | |
| olanzapine | [no description available] | medium | 1 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine | antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor |
| raltitrexed | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| citrovorum factor | [no description available] | medium | 1 | 0 | tetrahydrofolic acid | |
| rifapentine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-iminopiperazine;
rifamycins | antitubercular agent;
leprostatic drug |
| sildenafil citrate | [no description available] | medium | 1 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
| aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist |
| tegaserod maleate | [no description available] | medium | 1 | 0 | maleate salt | serotonergic agonist |
| rifabutin | [no description available] | medium | 1 | 0 | | |
| calcium citrate | [no description available] | low | 0 | 0 | organic calcium salt | flavouring agent;
food additive;
food preservative;
nutraceutical |
| calcium oxalate | [no description available] | low | 0 | 0 | organic calcium salt | |
| levomefolate calcium | [no description available] | low | 0 | 0 | organic calcium salt | antidepressant |