| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| ethinyl estradiol | [no description available] | high | 21 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| mestranol | [no description available] | high | 11 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| acetamide | [no description available] | medium | 1 | 0 | acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia | |
| adenine | [no description available] | medium | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| allantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
ureas | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary |
| quinacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| betaine | [no description available] | medium | 1 | 0 | amino-acid betaine;
glycine derivative | fundamental metabolite |
| carnitine | [no description available] | medium | 1 | 0 | amino-acid betaine | human metabolite;
mouse metabolite |
| citric acid, anhydrous | [no description available] | medium | 1 | 0 | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite |
| salicylic acid | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| bupropion | [no description available] | medium | 1 | 0 | aromatic ketone;
monochlorobenzenes;
secondary amino compound | antidepressant;
environmental contaminant;
xenobiotic |
| aminocaproic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid | antifibrinolytic drug;
hematologic agent;
metabolite |
| creatine | [no description available] | medium | 1 | 0 | glycine derivative;
guanidines;
zwitterion | geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical |
| lactic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| formaldehyde | [no description available] | medium | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| glycine | [no description available] | medium | 1 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
| glycerol | [no description available] | medium | 1 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| hydroquinone | [no description available] | medium | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
| inositol | [no description available] | medium | 2 | 0 | cyclitol;
hexol | |
| niacinamide | [no description available] | medium | 2 | 0 | pyridine alkaloid;
pyridinecarboxamide;
vitamin B3 | anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor |
| niacin | [no description available] | medium | 2 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite;
metabolite;
mouse metabolite |
| 4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite |
| phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
| phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| pyrazinamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate | coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| pyridoxine | [no description available] | medium | 2 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| thiamine | [no description available] | medium | 1 | 0 | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
| urea | [no description available] | medium | 1 | 0 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| catechin | [no description available] | medium | 1 | 0 | hydroxyflavan | |
| menthol | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
| phenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| acebutolol | [no description available] | medium | 1 | 0 | aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent |
| 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 | 3 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| acetohexamide | [no description available] | medium | 1 | 0 | acetophenones;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| acetohydroxamic acid | [no description available] | medium | 1 | 0 | acetohydroxamic acids;
carbohydroximic acid | algal metabolite;
EC 3.5.1.5 (urease) 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 |
| alfuzosin | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| amantadine | [no description available] | medium | 1 | 0 | adamantanes;
primary aliphatic amine | analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic |
| ambroxol | [no description available] | medium | 1 | 0 | aromatic amine | |
| aminoglutethimide | [no description available] | medium | 1 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| pimagedine | [no description available] | medium | 1 | 0 | guanidines;
one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| theophylline | [no description available] | medium | 2 | 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 |
| amitriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| amlodipine | [no description available] | medium | 1 | 0 | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| amobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| 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 |
| anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
| aspirin | [no description available] | medium | 2 | 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 |
| atenolol | [no description available] | medium | 2 | 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 |
| barbital | [no description available] | medium | 1 | 0 | barbiturates | drug allergen |
| bendazac | [no description available] | medium | 1 | 0 | indazoles;
monocarboxylic acid | non-steroidal anti-inflammatory drug;
radical scavenger |
| benzbromarone | [no description available] | medium | 2 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | |
| bay h 4502 | [no description available] | medium | 2 | 0 | biphenyls;
imidazoles | |
| bisoprolol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| bromisovalum | [no description available] | medium | 1 | 0 | N-acylurea;
organobromine compound | |
| brotizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
| bumetanide | [no description available] | medium | 2 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| bupivacaine | [no description available] | medium | 1 | 0 | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | |
| buspirone | [no description available] | medium | 1 | 0 | azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| busulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| butalbital | [no description available] | medium | 1 | 0 | barbiturates | analgesic;
sedative |
| 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 | |
| candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
| carbamazepine | [no description available] | medium | 2 | 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 |
| carisoprodol | [no description available] | medium | 2 | 0 | carbamate ester | muscle relaxant |
| 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 |
| cetirizine | [no description available] | medium | 1 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| chloral hydrate | [no description available] | medium | 1 | 0 | aldehyde hydrate;
ethanediol;
organochlorine compound | general anaesthetic;
mouse metabolite;
sedative;
xenobiotic |
| chlorambucil | [no description available] | medium | 2 | 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 | |
| chlormezanone | [no description available] | medium | 1 | 0 | 1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone | antipsychotic agent;
anxiolytic drug;
muscle relaxant |
| 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 |
| chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide |
| 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 | 2 | 0 | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| chlorzoxazone | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| cimetidine | [no description available] | medium | 3 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| cinoxacin | [no description available] | medium | 2 | 0 | cinnolines;
oxacycle;
oxo carboxylic acid | antibacterial drug;
antiinfective agent |
| 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 |
| cisapride | [no description available] | medium | 1 | 0 | benzamides | |
| 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 |
| clonidine | [no description available] | medium | 1 | 0 | clonidine;
imidazoline | |
| clotiazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
| clotrimazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| cyclandelate | [no description available] | medium | 1 | 0 | carboxylic ester;
secondary alcohol | vasodilator agent |
| cyproheptadine | [no description available] | medium | 1 | 0 | piperidines;
tertiary amine | anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist |
| danthron | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite |
| dapsone | [no description available] | medium | 2 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore |
| amphetamine | [no description available] | medium | 1 | 0 | primary amine | |
| eflornithine | [no description available] | medium | 1 | 0 | alpha-amino acid;
fluoroamino acid | trypanocidal drug |
| diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| diazoxide | [no description available] | medium | 2 | 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 |
| diclofenac | [no description available] | medium | 1 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| ddt | [no description available] | medium | 1 | 0 | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant |
| diflunisal | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| diphenhydramine | [no description available] | medium | 1 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
| dipyridamole | [no description available] | medium | 2 | 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 | 2 | 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 |
| valproic acid | [no description available] | medium | 1 | 0 | branched-chain fatty acid;
branched-chain saturated fatty acid | anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent |
| doxepin | [no description available] | medium | 2 | 0 | dibenzooxepine;
tertiary amino compound | antidepressant |
| doxepin | [no description available] | medium | 2 | 1 | dibenzooxepine;
tertiary amino compound | antidepressant |
| droperidol | [no description available] | medium | 2 | 0 | aromatic ketone;
benzimidazoles;
organofluorine compound | anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| econazole | [no description available] | medium | 1 | 0 | dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes | |
| enflurane | [no description available] | medium | 1 | 0 | ether;
organochlorine compound;
organofluorine compound | anaesthetic |
| 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 |
| estazolam | [no description available] | medium | 1 | 0 | triazoles;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA modulator |
| ethacrynic acid | [no description available] | medium | 2 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| ethoxzolamide | [no description available] | medium | 2 | 0 | aromatic ether;
benzothiazoles;
sulfonamide | antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| etodolac | [no description available] | medium | 2 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines;
acetate ester | antiviral drug;
prodrug |
| felbamate | [no description available] | medium | 2 | 0 | carbamate ester | anticonvulsant;
neuroprotective agent |
| felodipine | [no description available] | medium | 2 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| fenofibrate | [no description available] | medium | 2 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| fentanyl | [no description available] | medium | 1 | 0 | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic |
| flecainide | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug |
| 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 | 2 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| flufenamic acid | [no description available] | medium | 2 | 0 | aromatic amino acid;
organofluorine compound | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flumazenil | [no description available] | medium | 2 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| flunitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes | anxiolytic drug;
GABAA receptor agonist;
sedative |
| fluorouracil | [no description available] | medium | 2 | 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 | |
| flurbiprofen | [no description available] | medium | 2 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| fomepizole | [no description available] | medium | 1 | 0 | pyrazoles | antidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent |
| furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
| gemfibrozil | [no description available] | medium | 2 | 0 | aromatic ether | antilipemic drug |
| glafenine | [no description available] | medium | 1 | 0 | aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound | inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gliclazide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent;
insulin secretagogue;
radical scavenger |
| glutethimide | [no description available] | medium | 1 | 0 | piperidines | |
| glyburide | [no description available] | medium | 2 | 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 |
| gossypol | [no description available] | medium | 2 | 0 | | |
| guaiazulene | [no description available] | medium | 1 | 0 | sesquiterpene | |
| fasudil | [no description available] | medium | 1 | 0 | isoquinolines;
N-sulfonyldiazepane | antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent |
| haloperidol | [no description available] | medium | 2 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| halothane | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound | inhalation anaesthetic |
| hexachlorophene | [no description available] | medium | 2 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| miltefosine | [no description available] | medium | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| hexestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
| hexetidine | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound;
organonitrogen heterocyclic compound | |
| hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| hydralazine | [no description available] | medium | 1 | 0 | azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines | antihypertensive agent;
vasodilator agent |
| hydrochlorothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| 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 |
| hydroxyzine | [no description available] | medium | 1 | 0 | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist |
| ibuprofen | [no description available] | medium | 2 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| phenelzine | [no description available] | medium | 1 | 0 | primary amine | |
| lidocaine | [no description available] | medium | 2 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| alverine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug |
| idebenone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
primary alcohol | antioxidant;
ferroptosis inhibitor |
| 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 | 2 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indapamide | [no description available] | medium | 2 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| indomethacin | [no description available] | medium | 2 | 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 |
| iodipamide | [no description available] | medium | 1 | 0 | benzoic acids;
organoiodine compound;
secondary carboxamide | radioopaque medium |
| 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 |
| isoflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
| isoniazid | [no description available] | medium | 2 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| 2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| isoproterenol | [no description available] | medium | 1 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| isoxsuprine | [no description available] | medium | 1 | 0 | alkylbenzene | |
| isradipine | [no description available] | medium | 1 | 0 | benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester | |
| itraconazole | [no description available] | medium | 2 | 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 | |
| ketoprofen | [no description available] | medium | 2 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| khellin | [no description available] | medium | 2 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| labetalol | [no description available] | medium | 1 | 0 | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | |
| lamotrigine | [no description available] | medium | 2 | 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 | 2 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| leflunomide | [no description available] | medium | 2 | 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 |
| 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 |
| loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| malathion | [no description available] | medium | 1 | 0 | diester;
ethyl ester;
organic thiophosphate | |
| diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 1 | 0 | isopropyl ester | |
| mazindol | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
| meclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| meclofenoxate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
| mefenamic acid | [no description available] | medium | 2 | 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 |
| vitamin k 3 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| meperidine | [no description available] | medium | 1 | 0 | ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound | antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic |
| mephenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
| mepivacaine | [no description available] | medium | 1 | 0 | piperidinecarboxamide | drug allergen;
local anaesthetic |
| meprobamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mesalamine | [no description available] | medium | 1 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
| metformin | [no description available] | medium | 1 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| methadone | [no description available] | medium | 1 | 0 | benzenes;
diarylmethane;
ketone;
tertiary amino compound | |
| methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| methoxyflurane | [no description available] | medium | 1 | 0 | ether;
organochlorine compound;
organofluorine compound | hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic |
| methyl salicylate | [no description available] | medium | 1 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
| methylphenidate | [no description available] | medium | 1 | 0 | beta-amino acid ester;
methyl ester;
piperidines | |
| methyprylon | [no description available] | medium | 1 | 0 | organic molecular entity | |
| 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 | 2 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| metyrapone | [no description available] | medium | 1 | 0 | aromatic ketone | antimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
| mianserin | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist |
| miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene;
ether;
imidazoles | |
| 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 | 2 | 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 |
| mitotane | [no description available] | medium | 1 | 0 | diarylmethane | |
| mitoxantrone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| modafinil | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfoxide | |
| moxisylyte | [no description available] | medium | 1 | 0 | monoterpenoid | |
| deet | [no description available] | medium | 1 | 0 | benzamides;
monocarboxylic acid amide | environmental contaminant;
insect repellent;
xenobiotic |
| nabumetone | [no description available] | medium | 2 | 0 | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nalidixic acid | [no description available] | medium | 2 | 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 |
| nevirapine | [no description available] | medium | 2 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nialamide | [no description available] | medium | 2 | 0 | organonitrogen compound;
organooxygen compound | |
| niceritrol | [no description available] | medium | 1 | 0 | organic molecular entity | |
| nifedipine | [no description available] | medium | 2 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| niflumic acid | [no description available] | medium | 2 | 0 | aromatic carboxylic acid;
pyridines | |
| nilutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone | androgen antagonist;
antineoplastic agent |
| nimesulide | [no description available] | medium | 2 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| nimodipine | [no description available] | medium | 2 | 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 | 2 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| nitroglycerin | [no description available] | medium | 1 | 0 | nitroglycerol | explosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic |
| nizatidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist |
| masoprocol | [no description available] | medium | 1 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
| norfloxacin | [no description available] | medium | 2 | 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 |
| omeprazole | [no description available] | medium | 2 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| ondansetron | [no description available] | medium | 1 | 0 | carbazoles | |
| orphenadrine | [no description available] | medium | 1 | 0 | ether;
tertiary amino compound | antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| oxamniquine | [no description available] | medium | 1 | 0 | aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound | |
| oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| oxazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anxiolytic drug;
environmental contaminant;
xenobiotic |
| oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
| oxprenolol | [no description available] | medium | 1 | 0 | aromatic ether | |
| oxybenzone | [no description available] | medium | 1 | 0 | hydroxybenzophenone;
monomethoxybenzene | dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic |
| oxyphenbutazone | [no description available] | medium | 1 | 0 | phenols;
pyrazolidines | antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite |
| aminosalicylic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| pantoprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic |
| pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
| pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
| pentoxifylline | [no description available] | medium | 2 | 0 | oxopurine | |
| perazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
phenothiazines | dopaminergic antagonist;
phenothiazine antipsychotic drug |
| perphenazine | [no description available] | medium | 3 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| perphenazine | [no description available] | medium | 3 | 1 | 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 |
| phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
| phenolphthalein | [no description available] | medium | 2 | 0 | phenols | |
| phenoxybenzamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| phenylbutazone | [no description available] | medium | 2 | 0 | pyrazolidines | antirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| moxonidine | [no description available] | medium | 1 | 0 | organohalogen compound;
pyrimidines | |
| pinacidil | [no description available] | medium | 2 | 0 | pyridines | |
| pipemidic acid | [no description available] | medium | 2 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| piperazine | [no description available] | medium | 1 | 0 | azacycloalkane;
piperazines;
saturated organic heteromonocyclic parent | anthelminthic drug |
| praziquantel | [no description available] | medium | 2 | 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 | 2 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| probenecid | [no description available] | medium | 2 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 2 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker |
| procarbazine | [no description available] | medium | 1 | 0 | benzamides;
hydrazines | antineoplastic agent |
| prochlorperazine | [no description available] | medium | 2 | 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 |
| promethazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| 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 |
| pyridinolcarbamate | [no description available] | medium | 1 | 0 | pyridines | |
| pyrimethamine | [no description available] | medium | 2 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| ranitidine | [no description available] | medium | 1 | 0 | aralkylamine | |
| opc 12759 | [no description available] | medium | 1 | 0 | secondary carboxamide | |
| riluzole | [no description available] | medium | 2 | 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 |
| salicylamide | [no description available] | medium | 2 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
| sevoflurane | [no description available] | medium | 1 | 0 | ether;
organofluorine compound | central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor |
| sibutramine | [no description available] | medium | 1 | 0 | organochlorine compound;
tertiary amino compound | anti-obesity agent;
serotonin uptake inhibitor |
| 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 |
| 4-phenylbutyric acid, sodium salt | [no description available] | medium | 1 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug |
| vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| sulfadimethoxine | [no description available] | medium | 2 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfamerazine | [no description available] | medium | 2 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfameter | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
leprostatic drug;
renal agent |
| sulfamethazine | [no description available] | medium | 2 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
| sulfamethizole | [no description available] | medium | 2 | 0 | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfamethoxazole | [no description available] | medium | 2 | 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 |
| sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| sulfaphenazole | [no description available] | medium | 1 | 0 | primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor |
| sulfapyridine | [no description available] | medium | 1 | 0 | pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfasalazine | [no description available] | medium | 1 | 0 | | |
| sulfinpyrazone | [no description available] | medium | 1 | 0 | pyrazolidines;
sulfoxide | uricosuric drug |
| 2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| sulpiride | [no description available] | medium | 1 | 0 | benzamides;
N-alkylpyrrolidine;
sulfonamide | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| suprofen | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| suramin | [no description available] | medium | 1 | 0 | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug |
| 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 |
| tegafur | [no description available] | medium | 2 | 0 | organohalogen compound;
pyrimidines | |
| temazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
| temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug |
| 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 | 2 | 0 | diarylmethane | |
| tetracaine | [no description available] | medium | 1 | 0 | benzoate ester;
tertiary amino compound | local anaesthetic |
| thalidomide | [no description available] | medium | 1 | 0 | phthalimides;
piperidones | |
| thiabendazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
| thioridazine | [no description available] | medium | 1 | 0 | phenothiazines;
piperidines | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| tiaprofenic acid | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | drug allergen;
non-steroidal anti-inflammatory drug |
| ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| tiopronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| tizanidine | [no description available] | medium | 1 | 0 | benzothiadiazole;
imidazoles | alpha-adrenergic agonist;
muscle relaxant |
| tolazamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
| tolbutamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| tolperisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| ultram | [no description available] | medium | 1 | 0 | aromatic ether;
tertiary alcohol;
tertiary amino compound | |
| tranexamic acid | [no description available] | medium | 1 | 0 | amino acid | |
| 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 |
| triclosan | [no description available] | medium | 1 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic |
| triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| trimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant;
geroprotector |
| trimethoprim | [no description available] | medium | 2 | 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 |
| 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 |
| vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
| vigabatrin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
| ici 204,219 | [no description available] | medium | 1 | 0 | carbamate ester;
indoles;
N-sulfonylcarboxamide | anti-asthmatic agent;
leukotriene antagonist |
| zolpidem | [no description available] | medium | 1 | 0 | imidazopyridine | central nervous system depressant;
GABA agonist;
sedative |
| guanidine hydrochloride | [no description available] | medium | 1 | 0 | one-carbon compound;
organic chloride salt | protein denaturant |
| hydrocortisone acetate | [no description available] | medium | 2 | 0 | cortisol ester;
tertiary alpha-hydroxy ketone | |
| cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| 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 |
| estriol | [no description available] | medium | 19 | 0 | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid | estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite |
| reserpine | [no description available] | medium | 2 | 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 |
| cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug |
| phentolamine | [no description available] | medium | 2 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| sorbitol | [no description available] | medium | 1 | 0 | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| floxuridine | [no description available] | medium | 2 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
| bromouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
pyrimidines | mutagen |
| 3,3',5-triiodothyroacetic acid | [no description available] | medium | 1 | 0 | | |
| histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| thyroxine | [no description available] | medium | 1 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
| dextroamphetamine | [no description available] | medium | 1 | 0 | 1-phenylpropan-2-amine | adrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent |
| carbachol | [no description available] | medium | 1 | 0 | ammonium salt;
carbamate ester | cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic |
| norethindrone acetate | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound | progestin;
synthetic oral contraceptive |
| spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| cyclobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| allobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
| trichlorfon | [no description available] | medium | 2 | 0 | organic phosphonate;
organochlorine compound;
phosphonic ester | agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
| prednisone | [no description available] | medium | 1 | 0 | 11-oxo 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;
immunosuppressive agent;
prodrug |
| estrone | [no description available] | medium | 6 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| oxandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid | anabolic agent;
androgen |
| dehydroepiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid | androgen;
human metabolite;
mouse metabolite |
| nad | [no description available] | medium | 1 | 0 | NAD | geroprotector |
| penicillin g | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug;
drug allergen;
epitope |
| pilocarpine | [no description available] | medium | 1 | 0 | pilocarpine | antiglaucoma drug |
| triiodothyronine | [no description available] | medium | 1 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| 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 |
| glutamine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| cetrimonium bromide | [no description available] | medium | 1 | 0 | organic bromide salt;
quaternary ammonium salt | detergent;
surfactant |
| vincristine | [no description available] | medium | 1 | 0 | acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| physostigmine | [no description available] | medium | 1 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| testosterone propionate | [no description available] | medium | 2 | 0 | steroid ester | |
| apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
| aminopyrine | [no description available] | medium | 1 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| methyltestosterone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone | anabolic agent;
androgen;
antineoplastic agent |
| tetrabenazine | [no description available] | medium | 1 | 0 | benzoquinolizine;
cyclic ketone;
tertiary amino compound | |
| cephalothin | [no description available] | medium | 1 | 0 | azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes | antibacterial drug;
antimicrobial agent |
| uridine | [no description available] | medium | 2 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
| kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
| phenylephrine | [no description available] | medium | 1 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
| 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 |
| niridazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
C-nitro compound | |
| carbaryl | [no description available] | medium | 1 | 0 | carbamate ester;
naphthalenes | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant |
| lactose | [no description available] | medium | 1 | 0 | lactose | |
| methionine | [no description available] | medium | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid | antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| Mebutamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| colchicine | [no description available] | medium | 1 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| norethindrone | [no description available] | high | 10 | 1 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | progestin;
synthetic oral contraceptive |
| norethindrone | [no description available] | high | 10 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | progestin;
synthetic oral contraceptive |
| norethynodrel | [no description available] | medium | 3 | 0 | oxo steroid | |
| benziodarone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| ampicillin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
| mannitol | [no description available] | medium | 1 | 0 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
| 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 | 6 | 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 |
| medroxyprogesterone acetate | [no description available] | medium | 6 | 1 | 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 |
| methaqualone | [no description available] | medium | 1 | 0 | quinazolines | GABA agonist;
sedative |
| trypan blue | [no description available] | medium | 1 | 0 | | |
| cordycepin | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside;
adenosines | antimetabolite;
nucleoside antibiotic |
| tryptophan | [no description available] | medium | 1 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| arginine | [no description available] | medium | 2 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| trichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
| triamcinolone acetonide | [no description available] | medium | 2 | 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 |
| allylpropymal | [no description available] | medium | 1 | 0 | barbiturates | |
| butobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| dehydrocholic acid | [no description available] | medium | 2 | 0 | 12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid | gastrointestinal drug |
| methylprednisolone | [no description available] | medium | 2 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| isosorbide dinitrate | [no description available] | medium | 1 | 0 | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent |
| synephrine | [no description available] | medium | 1 | 0 | ethanolamines;
phenethylamine alkaloid;
phenols | alpha-adrenergic agonist;
plant metabolite |
| benzoyl peroxide | [no description available] | medium | 1 | 0 | carbonyl compound | |
| furan | [no description available] | medium | 1 | 0 | furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | carcinogenic agent;
hepatotoxic agent;
Maillard reaction product |
| ergotamine | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent |
| neostigmine bromide | [no description available] | medium | 2 | 0 | bromide salt | |
| phenformin | [no description available] | medium | 1 | 0 | biguanides | antineoplastic agent;
geroprotector;
hypoglycemic agent |
| mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
| hexachlorobenzene | [no description available] | medium | 1 | 0 | aromatic fungicide;
chlorobenzenes | antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant |
| trinitrotoluene | [no description available] | medium | 1 | 0 | trinitrotoluene | explosive |
| framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen;
antibacterial drug;
Escherichia coli metabolite |
| pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole;
aromatic ketone;
cyclic ketone | antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector |
| meglumine | [no description available] | medium | 1 | 0 | hexosamine;
secondary amino compound | |
| cinchophen | [no description available] | medium | 2 | 0 | quinolines | |
| yohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
| mequinol | [no description available] | medium | 1 | 0 | methoxybenzenes;
phenols | metabolite |
| dydrogesterone | [no description available] | medium | 2 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid | progestin |
| ephedrine | [no description available] | medium | 1 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| chlormadinone acetate | [no description available] | medium | 10 | 0 | corticosteroid hormone | |
| 2,3-dimercaptosuccinic acid | [no description available] | medium | 1 | 0 | | |
| evans blue | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent |
| testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester;
sterol ester | androgen |
| aminophylline | [no description available] | medium | 1 | 0 | mixture | bronchodilator agent;
cardiotonic drug |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| phenyramidol | [no description available] | medium | 1 | 0 | aminopyridine | |
| carbutamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide | |
| nandrolone decanoate | [no description available] | medium | 1 | 0 | steroid ester | |
| bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide;
butanamides;
butyrate ester | agonist;
cardiotonic drug;
vasodilator 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 |
| perflubron | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
perfluorinated compound | blood substitute;
radioopaque medium |
| cyproterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester | androgen antagonist;
geroprotector;
progestin |
| dextropropoxyphene | [no description available] | medium | 1 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist;
opioid analgesic |
| glycyrrhetinic acid | [no description available] | medium | 2 | 0 | cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | immunomodulator;
plant metabolite |
| chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| dihydralazine | [no description available] | medium | 1 | 0 | phthalazines | |
| phenylpropanolamine | [no description available] | medium | 1 | 0 | amphetamines;
phenethylamine alkaloid | plant metabolite |
| dihydroergotamine | [no description available] | medium | 1 | 0 | ergot alkaloid;
semisynthetic derivative | dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent |
| podophyllotoxin | [no description available] | medium | 2 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside | mutagen |
| chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
| methamphetamine | [no description available] | medium | 1 | 0 | amphetamines;
secondary amine | central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic |
| gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
| hematoporphyrin | [no description available] | medium | 1 | 0 | | |
| lactulose | [no description available] | medium | 1 | 0 | glycosylfructose | gastrointestinal drug;
laxative |
| megestrol acetate | [no description available] | medium | 4 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| acetylcysteine | [no description available] | medium | 2 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| erythromycin stearate | [no description available] | medium | 1 | 0 | aminoglycoside | |
| erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone;
erythromycin | |
| vinblastine | [no description available] | medium | 1 | 0 | | |
| estradiol valerate | [no description available] | medium | 2 | 0 | steroid ester | |
| vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| d-alpha tocopherol | [no description available] | medium | 1 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
| dronabinol | [no description available] | medium | 1 | 0 | benzochromene;
diterpenoid;
phytocannabinoid;
polyketide | cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic |
| amiloride | [no description available] | medium | 1 | 0 | aromatic amine;
guanidines;
organochlorine compound;
pyrazines | diuretic;
sodium channel blocker |
| pimozide | [no description available] | medium | 2 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| sulfadoxine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide | antibacterial drug;
antimalarial |
| acadesine | [no description available] | medium | 1 | 0 | 1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue | antineoplastic agent;
platelet aggregation inhibitor |
| stavudine | [no description available] | medium | 2 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| doxifluridine | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrimidine 5'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
prodrug |
| iproclozide | [no description available] | medium | 1 | 0 | aromatic ether | |
| streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| cladribine | [no description available] | medium | 2 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| carbenicillin disodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| dehydroemetine | [no description available] | medium | 1 | 0 | aromatic ether;
isoquinolines;
pyridoisoquinoline | antileishmanial agent;
antimalarial;
antiprotozoal drug |
| benorilate | [no description available] | medium | 1 | 0 | carbonyl compound | |
| trimetazidine | [no description available] | medium | 1 | 0 | aromatic amine | |
| floxacillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic |
| tiadenol | [no description available] | medium | 1 | 0 | aliphatic sulfide | |
| 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 |
| stanozolol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol | anabolic agent;
androgen |
| clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound | antineoplastic agent;
bone density conservation agent |
| xipamide | [no description available] | medium | 1 | 0 | benzamides | |
| selegiline | [no description available] | medium | 1 | 0 | selegiline;
terminal acetylenic compound | geroprotector |
| levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator |
| thiamphenicol | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfone | antimicrobial agent;
immunosuppressive agent |
| pizotyline | [no description available] | medium | 1 | 0 | benzocycloheptathiophene | histamine antagonist;
muscarinic antagonist;
serotonergic antagonist |
| isosorbide-5-mononitrate | [no description available] | medium | 1 | 0 | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent |
| danazol | [no description available] | high | 2 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| carbimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones;
carbamate ester | antithyroid drug;
prodrug |
| bromocriptine | [no description available] | medium | 10 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| bromocriptine | [no description available] | medium | 10 | 5 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| triamcinolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| oxyphenisatin | [no description available] | medium | 1 | 0 | indoles | |
| tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon;
chloroethenes | nephrotoxic agent |
| ursodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| butachlor | [no description available] | medium | 1 | 0 | aromatic amide;
organochlorine compound;
tertiary carboxamide | environmental contaminant;
herbicide;
xenobiotic |
| rose bengal b disodium salt | [no description available] | medium | 1 | 0 | | |
| glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles | antibacterial 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 |
| nicergoline | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
| oxcarbazepine | [no description available] | medium | 2 | 0 | cyclic ketone;
dibenzoazepine | anticonvulsant;
drug allergen |
| amineptin | [no description available] | medium | 1 | 0 | amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound | antidepressant;
dopamine uptake inhibitor |
| zidovudine | [no description available] | medium | 2 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| pirprofen | [no description available] | medium | 1 | 0 | pyrroline | |
| 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 |
| dobutamine | [no description available] | medium | 1 | 0 | catecholamine;
secondary amine | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| 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 |
| ticrynafen | [no description available] | medium | 1 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic |
| methyldopa | [no description available] | medium | 2 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent |
| bezafibrate | [no description available] | medium | 2 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| sq-11725 | [no description available] | medium | 2 | 0 | | |
| 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 |
| benoxaprofen | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes | antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester;
cyclopropanes | agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide |
| pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| desogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | contraceptive drug;
progestin;
synthetic oral contraceptive |
| muzolimine | [no description available] | medium | 1 | 0 | dichlorobenzene | |
| epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| desflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
| piperacillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| paroxetine | [no description available] | medium | 1 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| captopril | [no description available] | medium | 2 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| cefoperazone | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
| foscarnet sodium | [no description available] | medium | 1 | 0 | one-carbon compound;
organic sodium salt | antiviral drug |
| moxalactam | [no description available] | medium | 1 | 0 | cephalosporin;
oxacephem | antibacterial drug |
| nicorandil | [no description available] | medium | 1 | 0 | nitrate ester;
pyridinecarboxamide | potassium channel opener;
vasodilator agent |
| cefadroxil anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
| encainide | [no description available] | medium | 1 | 0 | benzamides;
piperidines | anti-arrhythmia drug;
sodium channel blocker |
| cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| miglustat | [no description available] | medium | 1 | 0 | piperidines;
tertiary amino compound | anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
| cefotetan | [no description available] | medium | 1 | 0 | | |
| lovastatin | [no description available] | medium | 2 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| piritrexim | [no description available] | medium | 1 | 0 | | |
| simvastatin | [no description available] | medium | 2 | 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 |
| pravastatin | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic |
| 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 |
| gepirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| mifepristone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| 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 |
| clopidogrel | [no description available] | medium | 1 | 0 | methyl ester;
monochlorobenzenes;
thienopyridine | anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| 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 |
| atorvastatin | [no description available] | medium | 1 | 0 | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic |
| 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 | [no description available] | medium | 1 | 0 | duloxetine | |
| irinotecan | [no description available] | medium | 1 | 0 | carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
| valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| 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 |
| capecitabine | [no description available] | medium | 1 | 0 | carbamate ester;
cytidines;
organofluorine compound | antimetabolite;
antineoplastic agent;
prodrug |
| adenosine | [no description available] | medium | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| halofuginone | [no description available] | medium | 1 | 0 | quinazolines | |
| ortho-cept | [no description available] | medium | 1 | 0 | | |
| cefprozil | [no description available] | medium | 1 | 0 | cephalosporin;
semisynthetic derivative | antibacterial drug |
| 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | [no description available] | medium | 1 | 0 | stilbenoid | |
| 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 |
| doxapram hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | central nervous system stimulant |
| 1,5-anhydroglucitol | [no description available] | medium | 1 | 0 | anhydro sugar | human metabolite |
| betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
| amprenavir | [no description available] | medium | 1 | 0 | carbamate ester;
sulfonamide;
tetrahydrofuryl ester | antiviral drug;
HIV protease inhibitor |
| glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative;
organic disulfide | Escherichia coli metabolite;
mouse metabolite |
| bendamustine | [no description available] | medium | 1 | 0 | benzimidazoles | |
| erdosteine | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| mizolastine | [no description available] | medium | 1 | 0 | benzimidazoles | |
| intoplicine | [no description available] | medium | 1 | 0 | pyridoindole | |
| 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 |
| dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor |
| 2-methoxyestradiol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite |
| medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
| sertraline | [no description available] | medium | 1 | 0 | dichlorobenzene;
secondary amino compound;
tetralins | antidepressant;
serotonin uptake inhibitor |
| picosulfate sodium | [no description available] | medium | 1 | 0 | aryl sulfate;
pyridines | |
| dienogest | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone | progesterone receptor agonist;
progestin;
synthetic oral contraceptive |
| morphazinamide | [no description available] | medium | 1 | 0 | morpholines;
pyrazines;
secondary carboxamide | |
| dexrazoxane | [no description available] | medium | 1 | 0 | razoxane | antineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent |
| voriconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug | P450 inhibitor |
| cyclobutyrol | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | bile therapy drug |
| terlipressin | [no description available] | medium | 1 | 0 | polypeptide | |
| isoflavone | [no description available] | medium | 1 | 0 | isoflavones | |
| clevudine | [no description available] | medium | 1 | 0 | | |
| tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| 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 |
| 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 |
| lopinavir | [no description available] | medium | 1 | 0 | amphetamines;
dicarboxylic acid diamide | anticoronaviral agent;
antiviral drug;
HIV protease inhibitor |
| 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 |
| selenomethionine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
selenomethionine | plant metabolite |
| perindopril | [no description available] | medium | 1 | 0 | alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| fingolimod | [no description available] | medium | 1 | 0 | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist |
| ecteinascidin 743 | [no description available] | medium | 1 | 0 | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite |
| nitisinone | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
| marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor |
| clofarabine | [no description available] | medium | 1 | 0 | adenosines;
organofluorine compound | antimetabolite;
antineoplastic agent |
| mitiglinide | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid | |
| imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| 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 |
| n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines;
monocarboxylic acid amide;
organoiodine compound | adenosine A3 receptor agonist |
| 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 |
| antiprimod | [no description available] | medium | 1 | 0 | | |
| sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
| olmesartan medoxomil | [no description available] | medium | 1 | 0 | biphenyls | |
| ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent |
| docetaxel | [no description available] | medium | 1 | 0 | hydrate;
secondary alpha-hydroxy ketone | antineoplastic agent |
| atazanavir | [no description available] | medium | 1 | 0 | carbohydrazide | antiviral drug;
HIV protease inhibitor |
| 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 |
| cariporide | [no description available] | medium | 1 | 0 | | |
| tezosentan | [no description available] | medium | 1 | 0 | | |
| moxifloxacin | [no description available] | medium | 1 | 0 | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug |
| jtt 501 | [no description available] | medium | 1 | 0 | | |
| 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 |
| cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| paromomycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside;
aminoglycoside antibiotic | anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| avasimibe | [no description available] | medium | 1 | 0 | monoterpenoid | |
| biotin | [no description available] | medium | 1 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
| atropine | [no description available] | medium | 2 | 0 | | |
| troleandomycin | [no description available] | medium | 1 | 0 | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic |
| deferasirox | [no description available] | medium | 1 | 0 | benzoic acids;
monocarboxylic acid;
phenols;
triazoles | iron chelator |
| tbc-11251 | [no description available] | medium | 1 | 0 | benzodioxoles | |
| sitosterol, (3beta)-isomer | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
| benzarone | [no description available] | medium | 1 | 0 | 1-benzofurans | |
| estramustine | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
carbamate ester;
organochlorine compound | alkylating agent;
antineoplastic agent;
radiation protective agent |
| noscapine | [no description available] | medium | 1 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite |
| homoharringtonine | [no description available] | medium | 1 | 0 | alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor |
| o-(chloroacetylcarbamoyl)fumagillol | [no description available] | medium | 1 | 0 | carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide | angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist |
| 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 |
| nexavar | [no description available] | medium | 1 | 0 | organosulfonate salt | |
| glucosamine | [no description available] | medium | 1 | 0 | D-glucosamine | Escherichia coli metabolite;
geroprotector;
mouse metabolite |
| 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 |
| griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| 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 |
| netilmicin | [no description available] | medium | 1 | 0 | | |
| trimethaphan camsylate | [no description available] | medium | 1 | 0 | | |
| erythromycin estolate | [no description available] | medium | 1 | 0 | aminoglycoside sulfate salt;
erythromycin derivative | enzyme inhibitor |
| cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
| devazepide | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug |
| tolterodine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug;
muscarinic antagonist;
muscle relaxant |
| doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
| erythromycin ethylsuccinate | [no description available] | medium | 1 | 0 | cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester | |
| ao 128 | [no description available] | medium | 1 | 0 | organic molecular entity | |
| acarbose | [no description available] | medium | 1 | 0 | amino cyclitol;
glycoside | |
| tretinoin | [no description available] | medium | 4 | 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 |
| retinol | [no description available] | medium | 1 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| alpha-D-fructofuranose 1,6-bisphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 1,6-bisphosphate | |
| docosahexaenoate | [no description available] | medium | 1 | 0 | docosahexaenoic acid;
omega-3 fatty acid | algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical |
| oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| cerivastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic) | |
| rosuvastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide | anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic |
| cocaine | [no description available] | medium | 1 | 0 | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| eicosapentaenoic acid | [no description available] | medium | 1 | 0 | icosapentaenoic acid;
omega-3 fatty acid | anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| mycophenolic acid | [no description available] | medium | 1 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| clindamycin | [no description available] | medium | 1 | 0 | | |
| fosfomycin | [no description available] | medium | 1 | 0 | epoxide;
phosphonic acids | antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
| zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| drf 2725 | [no description available] | medium | 1 | 0 | | |
| diethylstilbestrol | [no description available] | high | 9 | 1 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
| diethylstilbestrol | [no description available] | high | 9 | 0 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
| alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist |
| 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 |
| dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
| tiazofurin | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug |
| 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 |
| tenofovir | [no description available] | medium | 1 | 0 | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor |
| 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 |
| micafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
echinocandin | antiinfective agent |
| riboflavin | [no description available] | medium | 1 | 0 | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite |
| sodium bicarbonate | [no description available] | medium | 1 | 0 | one-carbon compound;
organic sodium salt | antacid;
food anticaking agent |
| sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
| sodium benzoate | [no description available] | medium | 1 | 0 | organic sodium salt | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| dipyrone | [no description available] | medium | 1 | 0 | organic sodium salt | anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug |
| ditiocarb sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
| carbenoxolone | [no description available] | medium | 1 | 0 | | |
| discodermolide | [no description available] | medium | 1 | 0 | diterpenoid | |
| cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound;
phytocannabinoid;
resorcinols | antimicrobial agent;
plant metabolite |
| propylthiouracil | [no description available] | medium | 2 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| prothionamide | [no description available] | medium | 2 | 0 | pyridines | |
| etomidate | [no description available] | medium | 1 | 0 | ethyl ester;
imidazoles | intravenous anaesthetic;
sedative |
| mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| methimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
| 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 |
| capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor |
| thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| tacrine hydrochloride | [no description available] | medium | 2 | 0 | | |
| sodium propionate | [no description available] | medium | 1 | 0 | organic sodium salt | antifungal drug;
food preservative |
| digoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| streptozocin | [no description available] | medium | 1 | 0 | | |
| tamoxifen | [no description available] | medium | 2 | 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 |
| ethionamide | [no description available] | medium | 2 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
| 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 |
| estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid;
steroid sulfate | human metabolite;
mouse metabolite |
| hmr 3647 | [no description available] | medium | 1 | 0 | | |
| toremifene | [no description available] | medium | 1 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
| droloxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
| or 1259 | [no description available] | medium | 1 | 0 | hydrazone;
nitrile;
pyridazinone | anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent |
| 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 |
| idoxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
| zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| silybin | [no description available] | medium | 1 | 0 | | |
| chloramine-t | [no description available] | medium | 1 | 0 | organic sodium salt | allergen;
antifouling biocide;
disinfectant |
| flosequinan | [no description available] | medium | 1 | 0 | quinolines | |
| tolcapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
benzophenones;
catechols | antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| dinoprost | [no description available] | medium | 1 | 0 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| 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 |
| beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
| alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent |
| cholecalciferol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
| amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| clavulanic acid | [no description available] | medium | 1 | 0 | oxapenam | antibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor |
| pulmicort | [no description available] | medium | 2 | 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 | | |
| montelukast | [no description available] | medium | 1 | 0 | aliphatic sulfide;
monocarboxylic acid;
quinolines | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist |
| 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 |
| astaxanthine | [no description available] | medium | 1 | 0 | carotenol;
carotenone | animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite |
| diosmin | [no description available] | medium | 1 | 0 | dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside | anti-inflammatory agent;
antioxidant |
| cynarine | [no description available] | medium | 1 | 0 | alkyl caffeate ester;
quinic acid | plant metabolite |
| sdz psc 833 | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
| coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant;
ferroptosis inhibitor;
human metabolite |
| tranilast | [no description available] | medium | 2 | 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 |
| 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 |
| misoprostol | [no description available] | medium | 1 | 0 | | |
| ozagrel | [no description available] | medium | 1 | 0 | cinnamic acids | |
| pitavastatin | [no description available] | medium | 1 | 0 | cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic) | antioxidant |
| alatrofloxacin mesylate | [no description available] | medium | 1 | 0 | | |
| codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic |
| 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 |
| dothiepin | [no description available] | medium | 1 | 0 | dothiepin | |
| levetiracetam | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | anticonvulsant;
environmental contaminant;
xenobiotic |
| nalorphine | [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 |
| oxymorphone | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| sirolimus | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| topiramate | [no description available] | medium | 1 | 0 | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker |
| alvocidib | [no description available] | medium | 1 | 0 | dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| seocalcitol | [no description available] | medium | 1 | 0 | | |
| fenretinide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant |
| geldanamycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound | antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor |
| morphine | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic |
| demycarosylturimycin h | [no description available] | medium | 1 | 0 | | |
| iloprost | [no description available] | medium | 1 | 0 | carbobicyclic compound;
monocarboxylic acid;
secondary alcohol | platelet aggregation inhibitor;
vasodilator agent |
| vinorelbine | [no description available] | medium | 1 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent |
| furazolidone | [no description available] | medium | 2 | 0 | | |
| fluvoxamine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant;
anxiolytic drug;
serotonin uptake inhibitor |
| semaxinib | [no description available] | medium | 1 | 0 | olefinic compound;
oxindoles;
pyrroles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| orantinib | [no description available] | medium | 1 | 0 | | |
| (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 | 2 | 0 | ethyl ester;
morpholines;
oxadiazole;
zwitterion | antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent |
| naltrexone | [no description available] | medium | 1 | 0 | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic |
| dextromethorphan | [no description available] | medium | 1 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic |
| 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 | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug |
| nitrofurazone | [no description available] | medium | 1 | 0 | | |
| bleomycin | [no description available] | medium | 1 | 0 | bleomycin | antineoplastic agent;
metabolite |
| enalaprilat anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| imidapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| sulindac sulfone | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organofluorine compound;
sulfone | apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| ximelagatran | [no description available] | medium | 1 | 0 | amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor |
| ceftriaxone | [no description available] | medium | 1 | 0 | 1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) 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 |
| guanabenz acetate | [no description available] | medium | 2 | 0 | dichlorobenzene | geroprotector |
| famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| cefotaxime | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen |
| aztreonam | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
monobactam | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
| proguanil | [no description available] | medium | 1 | 0 | biguanides;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| rifamycin sv | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins | antimicrobial agent;
antitubercular agent;
bacterial metabolite |
| epoprostenol sodium | [no description available] | medium | 1 | 0 | prostanoid | |
| ixabepilone | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle | antineoplastic agent;
microtubule-destabilising agent |
| azlocillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial drug |
| dantrolene sodium | [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 |
| nifurtimox | [no description available] | medium | 1 | 0 | nitrofuran antibiotic | |
| roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant;
xenobiotic |
| beraprost | [no description available] | medium | 1 | 0 | enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol | anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent |
| lanreotide | [no description available] | medium | 1 | 0 | | |
| lu 208075 | [no description available] | medium | 1 | 0 | diarylmethane | |
| acetylcarnitine | [no description available] | medium | 1 | 0 | O-acetylcarnitine;
saturated fatty acyl-L-carnitine | human metabolite;
Saccharomyces cerevisiae metabolite |
| nifurtoinol | [no description available] | medium | 1 | 0 | hydrazone;
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| fosinopril | [no description available] | medium | 1 | 0 | | |
| eflucimibe | [no description available] | medium | 1 | 0 | | |
| etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
| pentagastrin | [no description available] | medium | 1 | 0 | organic molecular entity | |
| gentamicin sulfate | [no description available] | medium | 1 | 0 | | |
| azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| vinflunine | [no description available] | medium | 1 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid | antineoplastic agent |
| baci-im | [no description available] | medium | 1 | 0 | homodetic cyclic peptide;
polypeptide;
zwitterion | antibacterial agent;
antimicrobial agent |
| pf 03491390 | [no description available] | medium | 1 | 0 | | |
| amodiaquine hydrochloride | [no description available] | medium | 1 | 0 | | |
| tannins | [no description available] | medium | 1 | 0 | tannin | |
| mesna | [no description available] | medium | 1 | 0 | organosulfonic acid | |
| cerivastatin sodium | [no description available] | medium | 1 | 0 | organic sodium salt;
statin (synthetic) | |
| monensin | [no description available] | medium | 1 | 0 | | |
| oxacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| sodium diatrizoate | [no description available] | medium | 2 | 0 | organic sodium salt;
organoiodine compound | radioopaque medium |
| ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| novobiocin | [no description available] | medium | 1 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |
| tetracycline | [no description available] | medium | 1 | 0 | | |
| chlortetracycline | [no description available] | medium | 1 | 0 | | |
| oxytetracycline, anhydrous | [no description available] | medium | 2 | 0 | | |
| minocycline | [no description available] | medium | 1 | 0 | | |
| dicumarol | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist |
| piroxicam | [no description available] | medium | 2 | 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 |
| acenocoumarol | [no description available] | medium | 2 | 0 | C-nitro compound;
hydroxycoumarin;
methyl ketone | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| mobic | [no description available] | medium | 2 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| mobiflex | [no description available] | medium | 2 | 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 |
| warfarin | [no description available] | medium | 3 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| phenprocoumon | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| rolitetracycline | [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 |
| ajmaline | [no description available] | medium | 1 | 0 | | |
| 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 | 2 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| inosine | [no description available] | medium | 2 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| folic acid | [no description available] | medium | 1 | 0 | folic acids;
N-acyl-amino acid | human metabolite;
mouse metabolite;
nutrient |
| 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 | 2 | 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 | 2 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| sildenafil | [no description available] | medium | 1 | 0 | piperazines;
pyrazolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
| 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 |
| penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
propane-1,3-diols | antiviral drug |
| oxypurinol | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | drug metabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor |
| raltitrexed | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| allopurinol | [no description available] | medium | 2 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| leucovorin | [no description available] | medium | 1 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite;
mouse metabolite |
| alanosine | [no description available] | medium | 1 | 0 | | |
| tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine;
benzotriazines;
N-oxide | antibacterial agent;
antineoplastic agent;
apoptosis inducer |
| rifabutin | [no description available] | medium | 1 | 0 | | |
| gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| 9-xylosyladenine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| malic acid | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid;
C4-dicarboxylic acid | food acidity regulator;
fundamental metabolite |
| phosphonoacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
phosphonic acids | antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| histamine | [no description available] | medium | 1 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| naringenin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones;
trihydroxyflavanone | |
| pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent;
drug metabolite |
| 1,10-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| 1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 1 | 0 | oxopurine | adenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| 2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
| ro 5-4864 | [no description available] | medium | 1 | 0 | | |
| 4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine;
aromatic amine | avicide;
orphan drug;
potassium channel blocker |
| 5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| 5-fluoroindole-2-carboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| etofylline | [no description available] | medium | 1 | 0 | oxopurine | |
| 7-nitroindazole | [no description available] | medium | 1 | 0 | | |
| aa 861 | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
acetylenic compound;
primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor |
| acetarsol | [no description available] | medium | 1 | 0 | acetamides;
anilide | |
| altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
| amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| aniracetam | [no description available] | medium | 1 | 0 | N-acylpyrrolidine;
pyrrolidin-2-ones | |
| anisindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant;
vitamin K antagonist |
| astemizole | [no description available] | medium | 1 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite |
| bay-k-8644 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester | |
| bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
| brimonidine | [no description available] | medium | 1 | 0 | imidazoles;
quinoxaline derivative;
secondary amine | adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent |
| bufexamac | [no description available] | medium | 1 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| butacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
| butamben | [no description available] | medium | 1 | 0 | amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline | local anaesthetic |
| chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles;
monochlorobenzenes;
sulfonamide | |
| 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 |
| 4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| dibucaine | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
diarylmethane | |
| domperidone | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| dipropizine | [no description available] | medium | 1 | 0 | piperazines | |
| dyphylline | [no description available] | medium | 1 | 0 | oxopurine;
propane-1,2-diols | bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent |
| ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
| ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
| epirizole | [no description available] | medium | 1 | 0 | aromatic ether | |
| myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
| 4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid;
biphenyls | non-steroidal anti-inflammatory drug |
| flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic | |
| 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 |
| fluorometholone | [no description available] | medium | 1 | 0 | | |
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 1 | 0 | isoquinolines;
N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
| harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
| hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
| hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic |
| indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam;
isoindoles;
monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether;
isoflavones | bone density conservation 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 |
| ly 171883 | [no description available] | medium | 1 | 0 | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist |
| edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant;
radical scavenger |
| meclofenamate sodium anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | |
| methazolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiadiazoles | |
| methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| 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 |
| cm 7116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
| ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| phenindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
| pf 5901 | [no description available] | medium | 1 | 0 | quinolines | |
| ritanserin | [no description available] | medium | 1 | 0 | organofluorine compound;
piperidines;
thiazolopyrimidine | antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist |
| rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| ronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
carbamate ester;
imidazoles | antiparasitic agent;
antiprotozoal drug |
| spiperone | [no description available] | medium | 1 | 0 | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist |
| aldactazide | [no description available] | medium | 1 | 0 | steroid lactone | |
| streptonigrin | [no description available] | medium | 1 | 0 | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent |
| sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antimicrobial drug |
| sulfacetamide | [no description available] | medium | 1 | 0 | N-sulfonylcarboxamide;
substituted aniline | antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| terazosin | [no description available] | medium | 1 | 0 | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
| trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
| trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide antibiotic | antihypertensive agent;
diuretic |
| tyramine | [no description available] | medium | 1 | 0 | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter |
| vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
| xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine;
methylbenzene;
secondary amino compound | alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative |
| zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine;
pyrrolopyrazine | central nervous system depressant;
sedative |
| oxyphenonium bromide | [no description available] | medium | 1 | 0 | | |
| corticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| neostigmine methylsulfate | [no description available] | medium | 1 | 0 | arylammonium sulfate salt | EC 3.1.1.8 (cholinesterase) inhibitor |
| prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| androsterone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid | androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone |
| promazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite;
antineoplastic agent;
drug metabolite |
| pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| dimethylphenylpiperazinium iodide | [no description available] | medium | 1 | 0 | N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
| desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| benzyltrimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
| promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative |
| tolazoline hydrochloride | [no description available] | medium | 1 | 0 | benzenes | |
| acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| methoxamine hydrochloride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| papaverine hydrochloride | [no description available] | medium | 1 | 0 | | |
| bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt;
quaternary ammonium salt | adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent |
| methacholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| fluocinolone acetonide | [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;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| 17-alpha-hydroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone | human metabolite;
metabolite;
mouse metabolite;
progestin |
| chlorpromazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
phenothiazines | anticoronaviral agent;
phenothiazine antipsychotic drug |
| cytarabine hydrochloride | [no description available] | medium | 1 | 0 | | |
| trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor |
| 4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
| isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
| lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
local anaesthetic |
| 9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
| phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| mecoprop | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | |
| 2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
synthetic auxin |
| arsanilic acid | [no description available] | medium | 1 | 0 | organoarsonic acid | |
| 3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
| pyridostigmine bromide | [no description available] | medium | 1 | 0 | pyridinium salt | |
| thiodipropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| imipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
| edrophonium chloride | [no description available] | medium | 1 | 0 | chloride salt;
quaternary ammonium salt | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| maltol | [no description available] | medium | 1 | 0 | 4-pyranones | metabolite |
| methapyrilene hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| phenazopyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| tetrracaine hydrochloride | [no description available] | medium | 1 | 0 | benzoate ester | |
| protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
| 20-alpha-dihydroprogesterone | [no description available] | medium | 2 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite;
mouse metabolite |
| 2-chloroadenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
organoammonium salt | anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative |
| tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
| ethamivan | [no description available] | medium | 1 | 0 | methoxybenzenes;
phenols | |
| pargyline hydrochloride | [no description available] | medium | 1 | 0 | | |
| orphenadrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| fluocinonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
| fluorometholone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
| medroxyprogesterone | [no description available] | medium | 6 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | contraceptive drug;
progestin;
synthetic oral contraceptive |
| medroxyprogesterone | [no description available] | medium | 6 | 1 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | contraceptive drug;
progestin;
synthetic oral contraceptive |
| tetrahydrozoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| 1,2-naphthoquinone | [no description available] | medium | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| amitriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
| naphazoline hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| 4,4'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridine | |
| doxylamine succinate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| monoacetyldapsone | [no description available] | medium | 1 | 0 | acetamides;
anilide;
secondary carboxamide;
sulfone | |
| formestane | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| chlorotrianisene | [no description available] | high | 5 | 2 | chloroalkene | antineoplastic agent;
estrogen receptor modulator;
xenoestrogen |
| chlorotrianisene | [no description available] | high | 5 | 0 | chloroalkene | antineoplastic agent;
estrogen receptor modulator;
xenoestrogen |
| aminacrine | [no description available] | medium | 1 | 0 | | |
| isoxsuprine hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
| bethanechol chloride | [no description available] | medium | 1 | 0 | carbamate ester;
chloride salt;
quaternary ammonium salt | muscarinic agonist |
| 2-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite |
| clopamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| phosmet | [no description available] | medium | 1 | 0 | organic thiophosphate;
organothiophosphate insecticide;
phthalimides | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| levonorgestrel | [no description available] | high | 18 | 2 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive |
| levonorgestrel | [no description available] | high | 18 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive |
| malononitrile dimer | [no description available] | medium | 1 | 0 | | |
| diphenyl disulfide | [no description available] | medium | 1 | 0 | benzenes | |
| cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 1 | 0 | hydrochloride | |
| tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| 2,2'-dipyridylamine | [no description available] | medium | 1 | 0 | | |
| pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
| flurandrenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| diethylcarbamazine citrate | [no description available] | medium | 1 | 0 | piperazinecarboxamide | |
| azacyclonol | [no description available] | medium | 1 | 0 | diarylmethane | |
| 5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 1 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite;
human metabolite |
| guaiacoxyacetic acid | [no description available] | medium | 1 | 0 | | |
| methylene diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | bone density conservation agent;
chelator |
| amiloride hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | diuretic;
sodium channel blocker |
| flumethasone | [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-inflammatory drug |
| azaribine | [no description available] | medium | 1 | 0 | acetate ester;
N-glycosyl-1,2,4-triazine | antipsoriatic;
prodrug |
| hydrocortisone hemisuccinate | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone | |
| antazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
| mebeverine hydrochloride | [no description available] | medium | 1 | 0 | | |
| clidinium bromide | [no description available] | medium | 1 | 0 | | |
| diloxanide furoate | [no description available] | medium | 1 | 0 | carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide | antiamoebic agent;
prodrug |
| nitroxoline | [no description available] | medium | 1 | 0 | C-nitro compound;
monohydroxyquinoline | antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent |
| beclomethasone | [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;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic drug;
anti-inflammatory drug |
| alverine citrate | [no description available] | medium | 1 | 0 | citrate salt;
organoammonium salt | antispasmodic drug;
cholinergic antagonist |
| cyclogyl | [no description available] | medium | 1 | 0 | | |
| metoclopramide hydrochloride | [no description available] | medium | 1 | 0 | | |
| isoetharine mesylate | [no description available] | medium | 1 | 0 | | |
| 6-nitroindazole | [no description available] | medium | 1 | 0 | | |
| hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone | dermatologic drug;
drug allergen |
| benserazide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
| eedq | [no description available] | medium | 1 | 0 | | |
| 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 |
| tetridamin | [no description available] | medium | 1 | 0 | | |
| metergoline | [no description available] | medium | 1 | 0 | carbamate ester;
ergoline alkaloid | dopamine agonist;
geroprotector;
serotonergic antagonist |
| capobenic acid | [no description available] | medium | 1 | 0 | benzamides | |
| thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
| clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug |
| frentizole | [no description available] | medium | 1 | 0 | | |
| eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
| moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| proroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
| etomidate | [no description available] | medium | 1 | 0 | imidazoles | |
| buspirone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| propafenone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| picobenzide | [no description available] | medium | 1 | 0 | | |
| flecainide acetate | [no description available] | medium | 1 | 0 | acetate salt | anti-arrhythmia drug |
| nicardipine hydrochloride | [no description available] | medium | 1 | 0 | dihydropyridine | geroprotector |
| triadimenol | [no description available] | medium | 1 | 0 | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite |
| terazosin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | | |
| pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug;
dopamine agonist;
geroprotector |
| cerm-1978 | [no description available] | medium | 1 | 0 | hydrochloride | |
| dazoxiben hydrochloride | [no description available] | medium | 1 | 0 | | |
| tobramycin sulfate | [no description available] | medium | 1 | 0 | | |
| benzylaminopurine | [no description available] | medium | 1 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
| fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
| diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| trazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
| doxazosin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | geroprotector |
| amantadine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent;
dopamine agonist;
NMDA receptor antagonist |
| norharman | [no description available] | medium | 1 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
| desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
| ticlopidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| dopamine hydrochloride | [no description available] | medium | 1 | 0 | catecholamine | |
| sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt | |
| acetylcholine bromide | [no description available] | medium | 1 | 0 | bromide salt;
quaternary ammonium salt | |
| aloxistatin | [no description available] | medium | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
| tryptamide | [no description available] | medium | 1 | 0 | | |
| trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
| oxyphencyclimine hydrochloride | [no description available] | medium | 1 | 0 | pyrimidines | |
| thioridazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | first generation antipsychotic;
geroprotector |
| diphenylpyraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | cholinergic antagonist;
H1-receptor antagonist |
| procainamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| siquil | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent |
| mepivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
piperidinecarboxamide | local anaesthetic |
| oxymetazoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| diphenidol hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
| alprenolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| edoxudin | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | |
| 6-ketoestradiol | [no description available] | medium | 1 | 0 | | |
| 17 beta-estradiol hemisuccinate | [no description available] | medium | 1 | 0 | | |
| amizyl | [no description available] | medium | 1 | 0 | | |
| salicylhydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid;
phenols | antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug |
| 1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
| 3-fluoro-4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | | |
| dyclonine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | topical anaesthetic |
| clomipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug |
| prazosin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| mianserin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
| miconazole nitrate | [no description available] | medium | 1 | 0 | | |
| econazole nitrate | [no description available] | medium | 1 | 0 | | |
| 2,4-dimethoxybenzaldehyde | [no description available] | medium | 1 | 0 | | |
| enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent |
| clobetasone butyrate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
| guanfacine hydrochloride | [no description available] | medium | 1 | 0 | acetamides | geroprotector |
| labetalol hydrochloride | [no description available] | medium | 1 | 0 | salicylamides | |
| diflorasone diacetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug;
antipruritic drug |
| acecainide hydrochloride | [no description available] | medium | 1 | 0 | | |
| loperamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| maprotiline hydrochloride | [no description available] | medium | 1 | 0 | anthracenes | |
| hydroxyzine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| secnidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
secondary alcohol | epitope |
| ergocornine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
| pramoxine hydrochloride | [no description available] | medium | 1 | 0 | aromatic ether | |
| butyrylcholine chloride | [no description available] | medium | 1 | 0 | | |
| 1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
| chloropyramine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 6-aminoindazole | [no description available] | medium | 1 | 0 | indazoles | |
| 5-aminoindazole | [no description available] | medium | 1 | 0 | | |
| phentolamine mesylate | [no description available] | medium | 1 | 0 | | |
| oxybutynin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| 2-methylhippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | metabolite |
| prilocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | local anaesthetic |
| meclizine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid | |
| malic acid, (r)-isomer | [no description available] | medium | 1 | 0 | malic acid | |
| 21-deoxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone | human blood serum metabolite;
mouse metabolite |
| estrone 3-methyl ether | [no description available] | medium | 1 | 0 | | |
| e-250 | [no description available] | medium | 1 | 0 | | |
| rac-glycerol 1-monodecanoate | [no description available] | medium | 1 | 0 | rac-1-monoacylglycerol | |
| nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
| levcromakalim | [no description available] | medium | 1 | 0 | 1-benzopyran | |
| tachistin | [no description available] | medium | 1 | 0 | | |
| cortisol octanoate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| armepavine | [no description available] | medium | 1 | 0 | | |
| n(6)-phenyladenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
| alphaxalone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
| beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
| tryptoline | [no description available] | medium | 1 | 0 | beta-carbolines | |
| gamma-fagarine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| betaxolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent;
beta-adrenergic antagonist |
| Zearalanone | [no description available] | medium | 1 | 0 | macrolide;
resorcinols | |
| butethamate citrate | [no description available] | medium | 1 | 0 | | |
| 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | [no description available] | medium | 1 | 0 | piperidines | |
| gallopamil hydrochloride | [no description available] | medium | 1 | 0 | | |
| 1,3-dimethylbenzimidazoline-2-thione | [no description available] | medium | 1 | 0 | | |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
| desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist |
| 3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | [no description available] | medium | 1 | 0 | | |
| dichloro-1,2-diaminocyclohexane platinum complex | [no description available] | medium | 1 | 0 | | |
| 1,4-di(2'-thienyl)-1,4-butadione | [no description available] | medium | 1 | 0 | | |
| idazoxan hydrochloride | [no description available] | medium | 1 | 0 | | |
| methyl 5-aminolevulinate hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug |
| antazoline phosphate | [no description available] | medium | 1 | 0 | | |
| pridinol mesylate | [no description available] | medium | 1 | 0 | | |
| 17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| 5-fluorotryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| piribedil mesylate | [no description available] | medium | 1 | 0 | | |
| serc | [no description available] | medium | 1 | 0 | | |
| procyclidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| (7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one | [no description available] | medium | 1 | 0 | macrolide | |
| cortisone | [no description available] | medium | 1 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| equilin | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid | |
| adrenosterone | [no description available] | medium | 1 | 0 | 11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite |
| gossypol acetic acid | [no description available] | medium | 1 | 0 | | |
| epinastine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
| 4',6-dihydroxy-5,7-dimethoxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone;
dimethoxyflavone | |
| 2-hydroxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
2-hydroxy steroid | carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug |
| medrysone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| artisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| chondocurine (1beta)-(+-)-isomer | [no description available] | medium | 1 | 0 | aromatic ether | |
| 4-methoxyxanthone | [no description available] | medium | 1 | 0 | | |
| 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | amine | |
| ouabain | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
| mandelic acid, (s)-isomer | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid;
mandelic acid | |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 1 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
| cortodoxone | [no description available] | medium | 1 | 0 | deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| acebutolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent |
| amiodarone hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| dicyclomine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antispasmodic drug;
muscarinic antagonist |
| nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
| difluprednate | [no description available] | medium | 1 | 0 | butyrate ester;
corticosteroid hormone | |
| dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
| vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
| amcinonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal | anti-inflammatory drug |
| flumethasone pivalate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| dihydroergocristine monomesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | alpha-adrenergic antagonist;
geroprotector;
vasodilator agent |
| resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 1 | 0 | adenosines;
monocarboxylic acid amide | adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| histidyl-proline diketopiperazine | [no description available] | medium | 1 | 0 | dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine | anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite |
| afimoxifene | [no description available] | medium | 1 | 0 | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite |
| ketoconazole | [no description available] | medium | 1 | 0 | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
| aphidicolin | [no description available] | medium | 1 | 0 | tetracyclic diterpenoid | antimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite |
| azaserine | [no description available] | medium | 1 | 0 | carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid | antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite |
| maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside;
glycosyl alditol | laxative;
metabolite;
sweetening agent |
| chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| thermospine | [no description available] | medium | 1 | 0 | | |
| dibenzylidene acetone | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone | [no description available] | medium | 1 | 0 | cycloheptafuran | |
| 5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
benzofurans | |
| 5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| haplamine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
| diethylstilbestrol dipropionate | [no description available] | medium | 1 | 0 | | |
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines;
sn-glycerol 3-phosphates | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite |
| n-methylscopolamine nitrate | [no description available] | medium | 1 | 0 | | |
| phenytoin sodium | [no description available] | medium | 1 | 0 | | |
| nsc 4347 | [no description available] | medium | 1 | 0 | | |
| ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide | [no description available] | medium | 1 | 0 | benzamides | |
| methamilane methiodide | [no description available] | medium | 1 | 0 | | |
| physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt;
salicylates | |
| pilocarpine nitrate | [no description available] | medium | 1 | 0 | | |
| n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
| methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
| 1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one | [no description available] | medium | 1 | 0 | benzoxazine | |
| dienestrol | [no description available] | medium | 4 | 0 | | |
| methylthiouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
| 4-methoxy-N-(3-pyridinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| 5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester | [no description available] | medium | 1 | 0 | coumarins | |
| 2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide | [no description available] | medium | 1 | 0 | phthalimides | |
| urocanic acid | [no description available] | medium | 1 | 0 | urocanic acid | human metabolite |
| 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
| 3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole;
ring assembly | |
| 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid | [no description available] | medium | 1 | 0 | psoralens | |
| 1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 1 | 0 | pyrimidotriazine | |
| thiothixene | [no description available] | medium | 1 | 0 | N-methylpiperazine | anticoronaviral agent |
| curcumin | [no description available] | medium | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
| 9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one | [no description available] | medium | 1 | 0 | pyridochromene | |
| 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester | [no description available] | medium | 1 | 0 | chromones | |
| 5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| 4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| [2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone | [no description available] | medium | 1 | 0 | quinolines | |
| 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide;
furans | |
| 2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | quinolines | |
| N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
| 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 |
| 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
| 1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea | [no description available] | medium | 1 | 0 | benzothiazoles | |
| N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| 2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | [no description available] | medium | 1 | 0 | flavones;
tert-butyl ester | |
| ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
| p-aminosalicylic acid monosodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mecysteine hydrochloride | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
| 2-(2-furanyl)-4-thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| dihydrosamidine | [no description available] | medium | 1 | 0 | | |
| N-(2-methoxycyclohexyl)-3,4-dimethylaniline | [no description available] | medium | 1 | 0 | methylbenzene | |
| eskazine | [no description available] | medium | 1 | 0 | | |
| 2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione | [no description available] | medium | 1 | 0 | methylbenzene | |
| 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester | [no description available] | medium | 1 | 0 | isopropyl ester;
piperazines | |
| zeranol | [no description available] | medium | 1 | 0 | macrolide | |
| monooctanoin | [no description available] | medium | 1 | 0 | 1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol | |
| trimethoprim | [no description available] | medium | 1 | 0 | | |
| 4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid | [no description available] | medium | 1 | 0 | peptide | |
| N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| 3-acetyl-6-methyl-1H-quinolin-4-one | [no description available] | medium | 1 | 0 | quinolines | |
| 3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone | [no description available] | medium | 1 | 0 | aryl sulfide | |
| N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide | [no description available] | medium | 1 | 0 | imidazolidines | |
| Anthraniloyllycoctonine | [no description available] | medium | 1 | 0 | diterpene alkaloid | |
| N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
| 1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid | [no description available] | medium | 1 | 0 | harmala alkaloid | |
| diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| biochanin a | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| prostaglandin b1 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
| prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
| timolol maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
| zearalenone | [no description available] | medium | 1 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
| estriol 17-glucuronide | [no description available] | medium | 1 | 0 | steroid saponin | |
| 4-hydroxyestradiol | [no description available] | medium | 1 | 0 | 4-hydroxy steroid | metabolite |
| menatetrenone | [no description available] | medium | 1 | 0 | menaquinone | anti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent |
| xylometazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
| 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 | |
| hydrocortisone valerate | [no description available] | medium | 1 | 0 | cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester | |
| prostaglandin f2 methyl ester | [no description available] | medium | 1 | 0 | prostanoid | |
| 2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | | |
| perhexiline maleate | [no description available] | medium | 1 | 0 | | |
| phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| phenylephrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| mepyramine maleate | [no description available] | medium | 1 | 0 | | |
| ethisterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | drug metabolite;
progestin |
| nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| 6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
| desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| u-44619 | [no description available] | medium | 1 | 0 | | |
| tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
| nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
| rg 13022 | [no description available] | medium | 1 | 0 | | |
| styrylquinoline | [no description available] | medium | 1 | 0 | 2-styrylquinoline | |
| kavain | [no description available] | medium | 1 | 0 | racemate | glycine receptor antagonist |
| enalapril maleate | [no description available] | medium | 1 | 0 | maleate salt | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| trimebutine maleate salt | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
| vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
| vincristine sulfate | [no description available] | medium | 1 | 0 | | |
| 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | isoflavones | |
| (2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid | [no description available] | medium | 1 | 0 | peptide | |
| n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
| naltrexone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| nylidrin hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
| triprolidine hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | H1-receptor antagonist |
| phentolamine | [no description available] | medium | 1 | 0 | | |
| fendiline hydrochloride | [no description available] | medium | 1 | 0 | | |
| tiapridex | [no description available] | medium | 1 | 0 | benzamides | |
| nab-365 | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| dithiazanine iodide | [no description available] | medium | 1 | 0 | benzothiazoles;
organic iodide salt | anthelminthic drug;
fluorochrome |
| sinequan | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
| buflomedil hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| moxisylyte hydrochloride | [no description available] | medium | 1 | 0 | monoterpenoid | |
| dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
| fluphenazine | [no description available] | medium | 1 | 0 | | |
| homochlorocyclizine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| butoxamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
| protriptyline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
| emetine hydrochloride | [no description available] | medium | 1 | 0 | | |
| epinephrine bitartrate | [no description available] | medium | 1 | 0 | | |
| bicuculline methobromide | [no description available] | medium | 1 | 0 | | |
| 6 beta-hydroxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mammalian metabolite;
probe |
| butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
| androst-16-en-3-one | [no description available] | medium | 1 | 0 | 3-oxo steroid;
androstanoid | mammalian metabolite;
pheromone |
| butaclamol hydrochloride | [no description available] | medium | 1 | 0 | | |
| dihydroouabain | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent |
| LSM-6455 | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | |
| estradiol 17-acetate | [no description available] | medium | 1 | 0 | steroid ester | |
| (3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
| 3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 1 | 0 | | |
| cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine | [no description available] | medium | 1 | 0 | pyrazoles;
ring assembly | |
| bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide | |
| ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| penicillin g potassium | [no description available] | medium | 1 | 0 | organic potassium salt | |
| piperacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefoxitin sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
| nafcillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug |
| estrone sulfate, potassium salt | [no description available] | medium | 1 | 0 | | |
| cefazolin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| naproxen sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| kf38789 | [no description available] | medium | 1 | 0 | | |
| pralidoxime iodide | [no description available] | medium | 1 | 0 | organic iodide salt;
pyridinium salt | cholinergic drug;
cholinesterase reactivator |
| pralidoxime chloride | [no description available] | medium | 1 | 0 | organic chloride salt;
pyridinium salt | cholinergic drug;
cholinesterase reactivator |
| dicyclohexyl 2,3-epoxysuccinate | [no description available] | medium | 4 | 1 | | |
| norgestrel | [no description available] | medium | 7 | 0 | | |
| dextrothyroxine | [no description available] | medium | 1 | 0 | | |
| putrescine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | antioxidant;
fundamental metabolite |
| mebeverine | [no description available] | medium | 1 | 1 | | |
| malondialdehyde | [no description available] | medium | 4 | 0 | dialdehyde | biomarker |
| indican | [no description available] | medium | 1 | 0 | beta-D-glucoside;
exopolysaccharide;
indolyl carbohydrate | |
| phosphorus | [no description available] | medium | 3 | 0 | monoatomic phosphorus;
nonmetal atom;
pnictogen | macronutrient |
| acid phosphatase | [no description available] | medium | 1 | 0 | | |
| hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline;
L-alpha-amino acid zwitterion | human metabolite;
mouse metabolite;
plant metabolite |
| transforming growth factor alpha | [no description available] | medium | 1 | 0 | | |
| icariin | [no description available] | medium | 1 | 0 | flavonols;
glycosyloxyflavone | antioxidant;
bone density conservation agent;
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
phytoestrogen |
| tibolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | bone density conservation agent;
hormone agonist |
| formononetin | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | phytoestrogen;
plant metabolite |
| phytoestrogens | [no description available] | medium | 2 | 0 | | |
| pqq cofactor | [no description available] | medium | 1 | 0 | orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid | anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role) |
| genistein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| enclomiphene | [no description available] | medium | 5 | 0 | | |
| endothelin-1 | [no description available] | medium | 1 | 1 | | |
| daidzein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
| transferrin | [no description available] | medium | 1 | 1 | | |
| ether | [no description available] | medium | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
| osteoprotegerin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| estradiol enanthate | [no description available] | medium | 1 | 0 | steroid ester | |
| osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
coumarins | metabolite |
| tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| colforsin | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol | adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist |
| tolfenamic acid | [no description available] | medium | 1 | 1 | aminobenzoic acid;
organochlorine compound;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| glycerylphosphorylcholine | [no description available] | medium | 2 | 0 | glycerophosphocholine | |
| nafoxidine | [no description available] | medium | 2 | 0 | benzenes;
naphthalenes;
ring assembly | |
| cyclofenil | [no description available] | medium | 1 | 0 | organic molecular entity | |
| dimenhydrinate | [no description available] | medium | 1 | 0 | diarylmethane | |
| tripelennamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| contraceptives, postcoital | [no description available] | medium | 2 | 0 | | |
| ergoline | [no description available] | medium | 5 | 5 | diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound | |
| deoxyglucose | [no description available] | medium | 1 | 0 | | |
| nandrolone | [no description available] | medium | 3 | 3 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid | human metabolite |
| bilirubin | [no description available] | medium | 1 | 0 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |
| sulfobromophthalein | [no description available] | medium | 2 | 0 | 2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols | dye |
| ethynodiol diacetate | [no description available] | medium | 3 | 0 | steroid ester;
terminal acetylenic compound | contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive |
| oxytocin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide;
peptide hormone | oxytocic;
vasodilator agent |
| methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
| chlorsuperlutin | [no description available] | medium | 1 | 0 | | |
| megestrol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| cyclopentane | [no description available] | medium | 1 | 1 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
| thioacetamide | [no description available] | medium | 1 | 0 | thiocarboxamide | hepatotoxic agent |
| phenyl acetate | [no description available] | medium | 2 | 1 | benzenes;
phenyl acetates | |
| cyanates | [no description available] | medium | 1 | 0 | | |
| valerates | [no description available] | medium | 1 | 1 | short-chain fatty acid anion;
straight-chain saturated fatty acid anion | plant metabolite |
| pregnanediol | [no description available] | medium | 1 | 0 | | |
| lynestrenol | [no description available] | medium | 1 | 0 | steroid | |
| ammonium sulfate | [no description available] | medium | 1 | 0 | ammonium salt;
inorganic sulfate salt | fertilizer |
| cetylpyridinium chloride anhydrous | [no description available] | medium | 1 | 0 | chloride salt;
organic chloride salt | antiseptic drug;
surfactant |
| guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| dienestrol | [no description available] | low | 0 | 0 | olefinic compound;
phenols | xenoestrogen |
| bisphenol a | [no description available] | low | 0 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
| 4,4'-bisphenol f | [no description available] | low | 0 | 0 | bisphenol;
diarylmethane | environmental food contaminant;
xenoestrogen |
| 4-octylphenol | [no description available] | low | 0 | 0 | phenols | metabolite;
surfactant;
xenoestrogen |
| mono-benzyl phthalate | [no description available] | low | 0 | 0 | phthalic acid monoester | xenobiotic metabolite;
xenoestrogen |
| estradiol 3-benzoate | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
benzoate ester | estrogen receptor agonist;
xenoestrogen |
| dexamethasone 21-phosphate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17-hydroxy steroid;
3-oxo-Delta(4) steroid;
fluorinated steroid;
steroid phosphate;
tertiary alpha-hydroxy ketone | glucocorticoid receptor agonist |
| algestone | [no description available] | low | 0 | 0 | 16alpha-hydroxy steroid;
17-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
tertiary alpha-hydroxy ketone | progestin |
| androstane-3,17-diol | [no description available] | low | 0 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
androstanoid | |
| 17alpha-ethynylestr-5(10)-ene-3alpha,17beta-diol | [no description available] | low | 0 | 0 | 17-hydroxy steroid | |
| 17-octadecynoic acid | [no description available] | low | 0 | 0 | acetylenic fatty acid;
long-chain fatty acid;
monounsaturated fatty acid;
terminal acetylenic compound | EC 1.14.14.94 (leukotriene-B4 20-monooxygenase) inhibitor;
EC 1.14.15.3 (alkane 1-monooxygenase) inhibitor;
P450 inhibitor |
| ethinamate | [no description available] | low | 0 | 0 | carbamate ester;
terminal acetylenic compound | sedative |
| clorgyline | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| propargite | [no description available] | low | 0 | 0 | sulfite ester;
terminal acetylenic compound | sulfite ester acaricide |
| acetylene | [no description available] | low | 0 | 0 | alkyne;
gas molecular entity;
terminal acetylenic compound | |
| methylacetylene | [no description available] | low | 0 | 0 | alkyne;
gas molecular entity;
terminal acetylenic compound | |
| propargyl alcohol | [no description available] | low | 0 | 0 | propynol;
terminal acetylenic compound;
volatile organic compound | antifungal agent;
Saccharomyces cerevisiae metabolite |
| propiolic acid | [no description available] | low | 0 | 0 | acetylenic fatty acid;
alpha,beta-unsaturated monocarboxylic acid;
monounsaturated fatty acid;
short-chain fatty acid;
terminal acetylenic compound | xenobiotic metabolite |
| ethyl propiolate | [no description available] | low | 0 | 0 | ethyl ester;
terminal acetylenic compound;
ynoate ester | |
| propiolaldehyde | [no description available] | low | 0 | 0 | terminal acetylenic compound;
ynal | mouse metabolite |
| ethynodiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3beta-hydroxy steroid;
terminal acetylenic compound | progestin |
| selegiline hydrochloride, (r)-isomer | [no description available] | low | 0 | 0 | hydrochloride;
terminal acetylenic compound | antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| pronamide | [no description available] | low | 0 | 0 | benzamides;
dichlorobenzene;
terminal acetylenic compound | agrochemical;
herbicide |
| s 53482 | [no description available] | low | 0 | 0 | benzoxazine;
dicarboximide;
organofluorine compound;
terminal acetylenic compound | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide;
teratogenic agent |
| 10-propargyl-10-deazaaminopterin | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound | antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| s 23121 | [no description available] | low | 0 | 0 | aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound | |
| erlotinib | [no description available] | low | 0 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| erlotinib hydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
terminal acetylenic compound | antineoplastic agent;
protein kinase inhibitor |
| rasagiline | [no description available] | low | 0 | 0 | indanes;
secondary amine;
terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent |
| zr 777 | [no description available] | low | 0 | 0 | farnesane sesquiterpenoid;
terminal acetylenic compound | juvenile hormone mimic |
| norgestimate | [no description available] | low | 0 | 0 | ketoxime;
steroid ester;
terminal acetylenic compound | contraceptive drug;
progestin;
synthetic oral contraceptive |
| etonogestrel | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin |
| mandipropamid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound | |