| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| 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 |
| salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
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 | |
| niacinamide | [no description available] | medium | 1 | 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 | 1 | 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 |
| pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| 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 |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| 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 | |
| acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
| theophylline | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
| 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 |
| atenolol | [no description available] | medium | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| 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 |
| benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls;
imidazoles | |
| 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 |
| bumetanide | [no description available] | medium | 1 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| 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 |
| carbamazepine | [no description available] | medium | 1 | 0 | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic |
| carisoprodol | [no description available] | medium | 1 | 0 | carbamate ester | muscle relaxant |
| chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chlorpropamide | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles;
monochlorobenzenes;
sulfonamide | |
| chlorzoxazone | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| cilostazol | [no description available] | medium | 1 | 0 | lactam;
tetrazoles | anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| cinoxacin | [no description available] | medium | 1 | 0 | cinnolines;
oxacycle;
oxo carboxylic acid | antibacterial drug;
antiinfective agent |
| 4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| dapsone | [no description available] | medium | 1 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| diazoxide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfone | antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent |
| 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 | |
| diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| dipyridamole | [no description available] | medium | 1 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disulfiram | [no description available] | medium | 1 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| domperidone | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| droperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
organofluorine compound | anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| 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 | |
| ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
| ethoxzolamide | [no description available] | medium | 1 | 0 | aromatic ether;
benzothiazoles;
sulfonamide | antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| felbamate | [no description available] | medium | 1 | 0 | carbamate ester | anticonvulsant;
neuroprotective agent |
| 4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid;
biphenyls | non-steroidal anti-inflammatory drug |
| fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| flucytosine | [no description available] | medium | 1 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| flufenamic acid | [no description available] | medium | 1 | 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 | 1 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic | |
| fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
| glipizide | [no description available] | medium | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue |
| glyburide | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent |
| 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 |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
| hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
| hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic |
| ibuprofen | [no description available] | medium | 1 | 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 |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indapamide | [no description available] | medium | 1 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| indomethacin | [no description available] | medium | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| 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 |
| isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
| ketoprofen | [no description available] | medium | 1 | 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 | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| lamotrigine | [no description available] | medium | 1 | 0 | 1,2,4-triazines;
dichlorobenzene;
primary arylamine | anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic |
| lansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| leflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor |
| 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 | |
| mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| methazolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiadiazoles | |
| methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
| 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 |
| nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nialamide | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| niflumic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid;
pyridines | |
| nimesulide | [no description available] | medium | 1 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester | antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent |
| nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
| 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 | |
| omeprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| phenindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant |
| phenolphthalein | [no description available] | medium | 1 | 0 | phenols | |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| phenylbutazone | [no description available] | medium | 1 | 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 |
| pinacidil | [no description available] | medium | 1 | 0 | pyridines | |
| pipemidic acid | [no description available] | medium | 1 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
| primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| probenecid | [no description available] | medium | 1 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 1 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| prochlorperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines | alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic |
| proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
| pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| pf 5901 | [no description available] | medium | 1 | 0 | quinolines | |
| riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
| 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 |
| salicylamide | [no description available] | medium | 1 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
| 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 |
| sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfamethazine | [no description available] | medium | 1 | 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 | 1 | 0 | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfamethoxazole | [no description available] | medium | 1 | 0 | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic |
| sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| tegafur | [no description available] | medium | 1 | 0 | organohalogen compound;
pyrimidines | |
| terazosin | [no description available] | medium | 1 | 0 | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
| thiabendazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
| tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| tolazamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
| tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
| trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
| trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide antibiotic | antihypertensive agent;
diuretic |
| trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| 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 |
| hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester;
tertiary alpha-hydroxy ketone | |
| 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 |
| phentolamine | [no description available] | medium | 1 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| 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 | |
| trichlorfon | [no description available] | medium | 1 | 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 |
| estrone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| 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 | | |
| ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative |
| uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
| 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 |
| norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
| 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 |
| ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial 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 | |
| medroxyprogesterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive |
| isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
| mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
local anaesthetic |
| triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid | gastrointestinal drug |
| methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| 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 |
| neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
| 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 |
| cinchophen | [no description available] | medium | 1 | 0 | quinolines | |
| 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 | 1 | 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 |
| quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
| chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| 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 | | |
| glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | immunomodulator;
plant metabolite |
| podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| medroxyprogesterone | [no description available] | medium | 1 | 0 | 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] | medium | 1 | 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 |
| megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| 2-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite |
| acetylcysteine | [no description available] | medium | 1 | 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 |
| 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] | medium | 1 | 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 | |
| estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
| 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 |
| pimozide | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| 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 | | |
| stavudine | [no description available] | medium | 1 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| 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 |
| cladribine | [no description available] | medium | 1 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive 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 | |
| oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone;
dibenzoazepine | anticonvulsant;
drug allergen |
| moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| zidovudine | [no description available] | medium | 1 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| 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 |
| bezafibrate | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| sq-11725 | [no description available] | medium | 1 | 0 | | |
| 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 |
| captopril | [no description available] | medium | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| 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 | | |
| lovastatin | [no description available] | medium | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| mifepristone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| 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 | |
| 2-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite |
| 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 | |
| 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 | | |
| histamine dihydrochloride | [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 | |
| atropine | [no description available] | medium | 1 | 0 | | |
| 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 |
| tretinoin | [no description available] | medium | 1 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
| 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 | | |
| propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| 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 | |
| prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
| 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 | 1 | 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 | |
| tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
| p-aminosalicylic acid monosodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
| digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| mecysteine hydrochloride | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
| ethionamide | [no description available] | medium | 1 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
| 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 |
| pulmicort | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
bronchodilator agent;
drug allergen |
| 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 | |
| tranilast | [no description available] | medium | 1 | 0 | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent |
| 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 | | |
| furazolidone | [no description available] | medium | 1 | 0 | | |
| tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
| nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
| molsidomine | [no description available] | medium | 1 | 0 | ethyl ester;
morpholines;
oxadiazole;
zwitterion | antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent |
| 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 |
| guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
| 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 |
| sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt;
organoiodine compound | radioopaque medium |
| 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 |
| oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
| piroxicam | [no description available] | medium | 1 | 0 | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| acenocoumarol | [no description available] | medium | 1 | 0 | C-nitro compound;
hydroxycoumarin;
methyl ketone | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| mobiflex | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| inosine | [no description available] | medium | 1 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| clozapine | [no description available] | medium | 1 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| kf38789 | [no description available] | medium | 1 | 0 | | |
| allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| 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 |
| tyrphostin ag 1024 | [no description available] | low | 0 | 0 | alkylbenzene | |
| benzethonium | [no description available] | low | 0 | 0 | alkylbenzene | |
| isoxsuprine | [no description available] | low | 0 | 0 | alkylbenzene | |
| nylidrin | [no description available] | low | 0 | 0 | alkylbenzene | |
| oxeladin | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | low | 0 | 0 | alkylbenzene | |
| octoxynol | [no description available] | low | 0 | 0 | alkylbenzene | |
| tyrphostin a9 | [no description available] | low | 0 | 0 | alkylbenzene | geroprotector |
| valethamate | [no description available] | low | 0 | 0 | alkylbenzene | |
| xylometazoline | [no description available] | low | 0 | 0 | alkylbenzene | |
| hydroxyphenamate | [no description available] | low | 0 | 0 | alkylbenzene | |
| isoaminile | [no description available] | low | 0 | 0 | alkylbenzene | |
| phenaglycodol | [no description available] | low | 0 | 0 | alkylbenzene | |
| p-tert-amylphenol | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2,6-di-tert-butyl-4-hydroxymethylphenol | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2,4-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite |
| 4-tert-butylbenzoic acid | [no description available] | low | 0 | 0 | alkylbenzene | |
| cumene | [no description available] | low | 0 | 0 | alkylbenzene | |
| ethylbenzene | [no description available] | low | 0 | 0 | alkylbenzene | |
| n-propylbenzene | [no description available] | low | 0 | 0 | alkylbenzene | |
| n-butylbenzene | [no description available] | low | 0 | 0 | alkylbenzene | |
| proxazole | [no description available] | low | 0 | 0 | alkylbenzene | |
| sec-butylbenzene | [no description available] | low | 0 | 0 | alkylbenzene | |
| sulfurous acid, 2-(p-tert-butylphenoxy)-1-methylethyl 2-chloroethyl ester | [no description available] | low | 0 | 0 | alkylbenzene | |
| 4-tert-octylphenol | [no description available] | low | 0 | 0 | alkylbenzene | |
| crufomate | [no description available] | low | 0 | 0 | alkylbenzene | |
| isoxsuprine hydrochloride | [no description available] | low | 0 | 0 | alkylbenzene | |
| 4-propylphenol | [no description available] | low | 0 | 0 | alkylbenzene | |
| promecarb | [no description available] | low | 0 | 0 | alkylbenzene | |
| o-cymen-5-ol | [no description available] | low | 0 | 0 | alkylbenzene | |
| butamirate | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2,6-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene;
phenols | antioxidant |
| lifibrol | [no description available] | low | 0 | 0 | alkylbenzene | |
| ephedrine hydrochloride | [no description available] | low | 0 | 0 | alkylbenzene | |
| simetride | [no description available] | low | 0 | 0 | alkylbenzene | |
| fenoxazoline | [no description available] | low | 0 | 0 | alkylbenzene | |
| tris-(2,4-di-tert-butylphenyl) phosphite | [no description available] | low | 0 | 0 | alkylbenzene | |
| fenpropimorph | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-(n-myristoylamino)-1-phenyl-1-propanol | [no description available] | low | 0 | 0 | alkylbenzene | |
| 3-(2-hydroxy-4-(1,1-dimethylheptylphenyl)cyclohexan-1-ol) | [no description available] | low | 0 | 0 | alkylbenzene;
ring assembly | |
| 4-propylbenzoic acid | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-n-hexyl-5-n-propylresorcinol | [no description available] | low | 0 | 0 | alkylbenzene | |
| 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene | |
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | low | 0 | 0 | alkylbenzene | |
| oxilofrine | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-[(dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol | [no description available] | low | 0 | 0 | alkylbenzene;
ring assembly | |
| 1-(1-azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone | [no description available] | low | 0 | 0 | alkylbenzene | |
| N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide | [no description available] | low | 0 | 0 | alkylbenzene | |
| 4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamide | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamide | [no description available] | low | 0 | 0 | alkylbenzene | |
| N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | alkylbenzene | |
| N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-propan-2-ylphenyl) ester | [no description available] | low | 0 | 0 | alkylbenzene | |
| N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-tert-butylphenyl) ester | [no description available] | low | 0 | 0 | alkylbenzene | |
| 3-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)propanamide | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid | [no description available] | low | 0 | 0 | alkylbenzene | |
| 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol | [no description available] | low | 0 | 0 | alkylbenzene | |
| N-(2-methoxycyclohexyl)-2,5-dimethylaniline | [no description available] | low | 0 | 0 | alkylbenzene | |
| tinofedrine | [no description available] | low | 0 | 0 | alkylbenzene | |
| fospropofol | [no description available] | low | 0 | 0 | alkylbenzene | |
| cgp 13501 | [no description available] | low | 0 | 0 | alkylbenzene | |
| 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol | [no description available] | low | 0 | 0 | alkylbenzene;
ring assembly | |
| cgp 7930 | [no description available] | low | 0 | 0 | alkylbenzene | |
| nylidrin hydrochloride | [no description available] | low | 0 | 0 | alkylbenzene | |
| methylbenzethonium chloride | [no description available] | low | 0 | 0 | alkylbenzene | |
| tapentadol | [no description available] | low | 0 | 0 | alkylbenzene | |
| o-demethyltramadol | [no description available] | low | 0 | 0 | alkylbenzene;
ring assembly | |
| elsibucol | [no description available] | low | 0 | 0 | alkylbenzene | |
| 2-(4-butan-2-ylanilino)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | alkylbenzene | |
| oxaziclomefone | [no description available] | low | 0 | 0 | alkylbenzene | |