Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
haloperidol | [no description available] | high | 82 | 5 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
haloperidol | [no description available] | high | 82 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
thioridazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | first generation antipsychotic; geroprotector |
cromolyn sodium | [no description available] | medium | 19 | 0 | organic sodium salt | anti-asthmatic drug; drug allergen |
cromolyn sodium | [no description available] | medium | 19 | 1 | organic sodium salt | anti-asthmatic drug; drug allergen |
quinacrine | [no description available] | medium | 5 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
gallopamil | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
4-aminopyridine | [no description available] | medium | 3 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
phenytoin | [no description available] | medium | 13 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
phenytoin | [no description available] | medium | 13 | 1 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
8-(4-sulfophenyl)theophylline | [no description available] | medium | 1 | 0 | | |
8-phenyltheophylline | [no description available] | medium | 3 | 0 | | |
theophylline | [no description available] | medium | 26 | 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 |
amitriptyline | [no description available] | high | 50 | 7 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amitriptyline | [no description available] | high | 50 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
anisindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant; vitamin K antagonist |
baclofen | [no description available] | medium | 9 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
baclofen | [no description available] | medium | 9 | 2 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
benzocaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
bepridil | [no description available] | high | 3 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
biperiden | [no description available] | medium | 2 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bupivacaine | [no description available] | medium | 3 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
buspirone | [no description available] | medium | 10 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
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 |
caffeine | [no description available] | medium | 10 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
caffeine | [no description available] | medium | 10 | 1 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
verapamil | [no description available] | medium | 16 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
verapamil | [no description available] | medium | 16 | 1 | aromatic ether; nitrile; polyether; tertiary amino compound | |
carbamazepine | [no description available] | medium | 17 | 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 |
chlordiazepoxide | [no description available] | medium | 19 | 0 | benzodiazepine | |
chlorpheniramine | [no description available] | high | 37 | 8 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpheniramine | [no description available] | high | 37 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpromazine | [no description available] | high | 64 | 2 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorpromazine | [no description available] | high | 64 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
cimetidine | [no description available] | medium | 29 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cimetidine | [no description available] | medium | 29 | 1 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
clomipramine | [no description available] | high | 25 | 1 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clomipramine | [no description available] | high | 25 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
desipramine | [no description available] | high | 26 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
diazepam | [no description available] | medium | 29 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazepam | [no description available] | medium | 29 | 2 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazoxide | [no description available] | medium | 8 | 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 | 5 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
dicyclomine | [no description available] | high | 4 | 0 | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
diphenidol | [no description available] | medium | 1 | 0 | benzenes; piperidines; tertiary alcohol | antiemetic |
dilazep | [no description available] | medium | 2 | 0 | benzoate ester; diazepane; diester; methoxybenzenes | cardioprotective agent; platelet aggregation inhibitor; vasodilator agent |
diphenhydramine | [no description available] | high | 63 | 5 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
diphenhydramine | [no description available] | high | 63 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
dipyridamole | [no description available] | high | 9 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
doxepin | [no description available] | medium | 14 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
doxepin | [no description available] | medium | 14 | 1 | dibenzooxepine; tertiary amino compound | antidepressant |
droperidol | [no description available] | medium | 4 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
etazolate | [no description available] | medium | 1 | 0 | ethyl ester; hydrazone; pyrazolopyridine | alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor |
felodipine | [no description available] | medium | 4 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
flufenamic acid | [no description available] | medium | 9 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fluphenazine | [no description available] | medium | 7 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
flumazenil | [no description available] | medium | 7 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
hydroxyzine | [no description available] | high | 51 | 19 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
hydroxyzine | [no description available] | high | 51 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
lidocaine | [no description available] | medium | 10 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
ici 118551 | [no description available] | medium | 1 | 0 | indanes | |
imipramine | [no description available] | medium | 42 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
indomethacin | [no description available] | medium | 72 | 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 |
indomethacin | [no description available] | medium | 72 | 2 | 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 |
1-methyl-3-isobutylxanthine | [no description available] | medium | 2 | 0 | 3-isobutyl-1-methylxanthine | |
loperamide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
mepivacaine | [no description available] | medium | 5 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
benzoic acid [2-methyl-2-(propylamino)propyl] ester | [no description available] | medium | 1 | 0 | benzoate ester | |
metoprolol | [no description available] | medium | 3 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
mianserin | [no description available] | high | 38 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
nifedipine | [no description available] | medium | 9 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nifedipine | [no description available] | medium | 9 | 1 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nisoldipine | [no description available] | medium | 3 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nitrendipine | [no description available] | medium | 2 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nortriptyline | [no description available] | medium | 11 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
oxethazaine | [no description available] | medium | 2 | 0 | amino acid amide | |
benoxinate | [no description available] | medium | 1 | 0 | amino acid ester; benzoate ester; substituted aniline; tertiary amino compound | drug allergen; local anaesthetic; topical anaesthetic |
papaverine | [no description available] | medium | 6 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
pentobarbital | [no description available] | medium | 15 | 0 | barbiturates | GABAA receptor agonist |
pheniramine | [no description available] | medium | 2 | 0 | pyridines; tertiary amino compound | |
phenobarbital | [no description available] | medium | 12 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenoxybenzamine | [no description available] | medium | 55 | 0 | aromatic amine | |
phenoxybenzamine | [no description available] | medium | 55 | 1 | aromatic amine | |
practolol | [no description available] | medium | 3 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
pramoxine | [no description available] | medium | 1 | 0 | aromatic ether; morpholines | local anaesthetic |
prazosin | [no description available] | medium | 12 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
prilocaine | [no description available] | medium | 1 | 0 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
proadifen | [no description available] | medium | 2 | 0 | diarylmethane | |
procainamide | [no description available] | medium | 4 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procaine | [no description available] | medium | 2 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
promazine | [no description available] | high | 7 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
promethazine | [no description available] | high | 37 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
proxymetacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
protriptyline | [no description available] | medium | 6 | 0 | carbotricyclic compound | antidepressant |
pyrilamine | [no description available] | high | 32 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 2 | 0 | methoxybenzenes | |
rolipram | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
secobarbital | [no description available] | medium | 3 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
sotalol | [no description available] | medium | 4 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
spiperone | [no description available] | high | 27 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
tetracaine | [no description available] | medium | 5 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
thioridazine | [no description available] | high | 9 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
trazodone | [no description available] | high | 7 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
trequinsin | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
trifluoperazine | [no description available] | medium | 6 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
reserpine | [no description available] | medium | 68 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
reserpine | [no description available] | medium | 68 | 1 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
phentolamine | [no description available] | medium | 54 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
hexobendine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
dichloroisoproterenol | [no description available] | medium | 2 | 0 | | |
tetraethylammonium chloride | [no description available] | medium | 1 | 0 | organic chloride salt; quaternary ammonium salt | potassium channel blocker |
tetrabenazine | [no description available] | medium | 8 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
piperoxan | [no description available] | medium | 2 | 0 | | |
nifenalol | [no description available] | medium | 1 | 0 | C-nitro compound | |
brompheniramine | [no description available] | high | 6 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
propoxycaine | [no description available] | medium | 1 | 0 | benzoate ester | |
dimethisoquin | [no description available] | medium | 1 | 0 | isoquinolines | |
parethoxycaine | [no description available] | medium | 1 | 0 | benzoate ester | |
yohimbine | [no description available] | high | 24 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
2-chloroadenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
prenylamine | [no description available] | medium | 3 | 0 | diarylmethane | |
bicuculline | [no description available] | medium | 10 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
hexylcaine | [no description available] | medium | 1 | 0 | benzoate ester | |
piperocaine | [no description available] | medium | 1 | 0 | benzoate ester | |
diperodon | [no description available] | medium | 1 | 0 | carbamate ester | |
cyclomethycaine | [no description available] | medium | 1 | 0 | benzoate ester | |
carcainium chloride | [no description available] | medium | 1 | 0 | | |
azacyclonol | [no description available] | medium | 2 | 0 | diarylmethane | |
butoxamine | [no description available] | medium | 1 | 0 | | |
dexpropranolol | [no description available] | medium | 2 | 0 | propranolol | |
iprindole | [no description available] | medium | 1 | 0 | indoles | |
carticaine | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
timolol | [no description available] | medium | 4 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
butaclamol | [no description available] | medium | 3 | 0 | organic heteropentacyclic compound | |
etidocaine | [no description available] | medium | 1 | 0 | amino acid amide | local anaesthetic |
diltiazem | [no description available] | medium | 11 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
diltiazem | [no description available] | medium | 11 | 1 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
Arbaclofen | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
colforsin | [no description available] | medium | 2 | 0 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
opromazine | [no description available] | medium | 1 | 0 | phenothiazines | |
corynanthine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
phenylisopropyladenosine | [no description available] | medium | 1 | 0 | aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound | adenosine A1 receptor agonist; neuroprotective agent |
w 7 | [no description available] | medium | 1 | 0 | | |
2-n-butyl-3-(dimethylamino)-5,6-methylenedioxyindene | [no description available] | medium | 1 | 0 | | |
rac 109 | [no description available] | medium | 1 | 0 | | |
atropine | [no description available] | medium | 83 | 0 | | |
atropine | [no description available] | medium | 83 | 2 | | |
strychnine | [no description available] | medium | 5 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
quinidine | [no description available] | medium | 5 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
cocaine | [no description available] | medium | 11 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
diethylstilbestrol | [no description available] | medium | 5 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
rauwolscine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
chlorprothixene | [no description available] | medium | 3 | 0 | chlorprothixene | |
flunarizine | [no description available] | medium | 4 | 0 | diarylmethane | |
thiothixene | [no description available] | medium | 3 | 0 | N-methylpiperazine | anticoronaviral agent |
cinnarizine | [no description available] | high | 8 | 3 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
cinnarizine | [no description available] | high | 8 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
quinine | [no description available] | medium | 3 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
codeine | [no description available] | medium | 9 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
codeine | [no description available] | medium | 9 | 1 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
morphine | [no description available] | medium | 49 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
morphine | [no description available] | medium | 49 | 2 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
levorphanol | [no description available] | medium | 4 | 0 | morphinane alkaloid | |
levorphanol | [no description available] | medium | 4 | 1 | morphinane alkaloid | |
dextrorphan | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
zimeldine | [no description available] | medium | 8 | 0 | styrenes | |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 6 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
scopolamine hydrobromide | [no description available] | medium | 15 | 0 | | |
astemizole | [no description available] | high | 19 | 5 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
astemizole | [no description available] | high | 19 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
oxatomide | [no description available] | medium | 7 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
azatadine | [no description available] | high | 48 | 0 | benzocycloheptapyridine; tertiary amine | anti-allergic agent; H1-receptor antagonist |
azatadine | [no description available] | high | 48 | 20 | benzocycloheptapyridine; tertiary amine | anti-allergic agent; H1-receptor antagonist |
desmethylastemizole | [no description available] | medium | 1 | 0 | benzimidazoles | |
3-phenylpropionic acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
gamma-aminobutyric acid | [no description available] | medium | 19 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
acetic acid | [no description available] | medium | 5 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
citric acid, anhydrous | [no description available] | medium | 3 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
2-aminoacetaldehyde | [no description available] | medium | 1 | 0 | amino aldehyde; omega-aminoaldehyde | Escherichia coli metabolite |
phosphoglycolate | [no description available] | medium | 1 | 0 | carboxyalkyl phosphate | Escherichia coli metabolite; mouse metabolite |
hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
oxalic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
phenol | [no description available] | medium | 3 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
phenethylamine | [no description available] | medium | 3 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
phosphoric acid | [no description available] | medium | 1 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
tryptamine | [no description available] | medium | 9 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
alprenolol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
apraclonidine | [no description available] | medium | 1 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
arecoline | [no description available] | medium | 3 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
bromazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbinoxamine | [no description available] | medium | 3 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
carbofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
clonidine | [no description available] | medium | 38 | 0 | clonidine; imidazoline | |
clonidine | [no description available] | medium | 38 | 5 | clonidine; imidazoline | |
cycloleucine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
amphetamine | [no description available] | medium | 35 | 0 | primary amine | |
diclofenac | [no description available] | medium | 6 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
ddt | [no description available] | medium | 3 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
valproic acid | [no description available] | medium | 23 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
valproic acid | [no description available] | medium | 23 | 2 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
domperidone | [no description available] | medium | 3 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
flurbiprofen | [no description available] | medium | 4 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fluspirilene | [no description available] | medium | 2 | 0 | diarylmethane | |
guanfacine | [no description available] | medium | 2 | 0 | acetamides | |
ibuprofen | [no description available] | medium | 8 | 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 |
ketanserin | [no description available] | high | 62 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
lorazepam | [no description available] | medium | 8 | 0 | benzodiazepine | |
lorazepam | [no description available] | medium | 8 | 1 | benzodiazepine | |
mescaline | [no description available] | medium | 9 | 0 | methoxybenzenes; phenethylamine alkaloid; primary amino compound | hallucinogen |
methadone | [no description available] | medium | 8 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
metharbital | [no description available] | medium | 1 | 0 | organic molecular entity | |
muscimol | [no description available] | medium | 3 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
naphazoline | [no description available] | medium | 1 | 0 | naphthalenes | |
nisoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound | adrenergic uptake inhibitor; antidepressant |
nomifensine | [no description available] | medium | 3 | 0 | isoquinolines | dopamine uptake inhibitor |
oxotremorine | [no description available] | medium | 5 | 0 | N-alkylpyrrolidine | |
oxymetazoline | [no description available] | medium | 2 | 0 | carboxamidine; imidazolines; phenols | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
phenylbutazone | [no description available] | medium | 18 | 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 |
pipamperone | [no description available] | medium | 5 | 0 | aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
propranolol | [no description available] | medium | 75 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
propranolol | [no description available] | medium | 75 | 5 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
pyrimethamine | [no description available] | medium | 5 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
trimethoprim | [no description available] | medium | 3 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
wb 4101 | [no description available] | medium | 2 | 0 | aromatic ether; benzodioxine; secondary amino compound | alpha-adrenergic antagonist |
xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
corticosterone | [no description available] | medium | 14 | 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 |
lysergic acid diethylamide | [no description available] | medium | 78 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
3,3',5-triiodothyroacetic acid | [no description available] | medium | 2 | 0 | | |
thyroxine | [no description available] | medium | 13 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
carbachol | [no description available] | medium | 6 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
aldosterone | [no description available] | medium | 11 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
pilocarpine | [no description available] | medium | 11 | 0 | pilocarpine | antiglaucoma drug |
apomorphine | [no description available] | medium | 36 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
apomorphine | [no description available] | medium | 36 | 1 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
carbaryl | [no description available] | medium | 2 | 0 | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
cytidine monophosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
medroxyprogesterone acetate | [no description available] | medium | 2 | 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 |
cordycepin | [no description available] | medium | 2 | 0 | 3'-deoxyribonucleoside; adenosines | antimetabolite; nucleoside antibiotic |
ethylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | human metabolite |
tetramethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
mephobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant |
ketobemidone | [no description available] | medium | 1 | 0 | piperidines | |
cytisine | [no description available] | medium | 1 | 0 | alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound | nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite |
bufotenin | [no description available] | medium | 1 | 0 | tertiary amine; tryptamine alkaloid | coral metabolite; hallucinogen |
fructose-1,6-diphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 1,6-bisphosphate | mouse metabolite |
dihydrotestosterone | [no description available] | medium | 6 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
trimellitic acid | [no description available] | medium | 1 | 0 | tricarboxylic acid | |
pimozide | [no description available] | high | 31 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
benperidol | [no description available] | medium | 2 | 0 | aromatic ketone | |
benzetimide | [no description available] | medium | 1 | 0 | piperidines | |
acetylpyruvic acid | [no description available] | medium | 1 | 0 | beta-diketone; dioxo monocarboxylic acid | bacterial metabolite |
metoprine | [no description available] | medium | 1 | 0 | | |
coformycin | [no description available] | medium | 1 | 0 | coformycins | EC 3.5.4.4 (adenosine deaminase) inhibitor |
pizotyline | [no description available] | high | 38 | 3 | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
pizotyline | [no description available] | high | 38 | 0 | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
metergoline | [no description available] | high | 55 | 2 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
metergoline | [no description available] | high | 55 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
lofexidine | [no description available] | medium | 1 | 0 | aromatic ether; carboxamidine; dichlorobenzene; imidazoles | alpha-adrenergic agonist; antihypertensive agent |
5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate | [no description available] | medium | 1 | 0 | | |
indoramin | [no description available] | medium | 2 | 0 | tryptamines | |
penfluridol | [no description available] | medium | 3 | 0 | diarylmethane | |
tiamenidine | [no description available] | medium | 1 | 0 | organochlorine compound | |
sufentanil | [no description available] | high | 3 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
carfentanil | [no description available] | medium | 1 | 0 | methyl ester; piperidines; tertiary amino compound; tertiary carboxamide | mu-opioid receptor agonist; opioid analgesic; tranquilizing drug |
fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
flutonidine | [no description available] | medium | 2 | 0 | | |
tutin | [no description available] | medium | 1 | 0 | gamma-lactone | |
nicotine | [no description available] | medium | 7 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
5,6-dihydrouridine | [no description available] | medium | 1 | 0 | uridines | biomarker |
methotrexate | [no description available] | medium | 5 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
methotrexate | [no description available] | medium | 5 | 1 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
naproxen | [no description available] | medium | 6 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
camphora | [no description available] | medium | 1 | 0 | camphor | |
biotin | [no description available] | medium | 2 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
ouabain | [no description available] | medium | 5 | 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 |
xylose 1-phosphate | [no description available] | medium | 1 | 0 | xylose phosphate | |
picrotoxinin | [no description available] | medium | 1 | 0 | epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol | GABA antagonist; plant metabolite; serotonergic antagonist |
1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside 5'-monophosphate | |
etorphine | [no description available] | medium | 1 | 0 | alcohol; morphinane alkaloid | opioid analgesic; opioid receptor agonist; sedative |
dieldrin | [no description available] | medium | 1 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
benztropine | [no description available] | medium | 9 | 0 | diarylmethane | |
tamoxifen | [no description available] | medium | 8 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
tamoxifen | [no description available] | medium | 8 | 1 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
ketazocine | [no description available] | medium | 1 | 0 | | |
dinoprostone | [no description available] | medium | 8 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprost | [no description available] | medium | 4 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
alprostadil | [no description available] | medium | 4 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
triprolidine | [no description available] | high | 13 | 1 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
triprolidine | [no description available] | high | 13 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
2-amino-4-methoxy-3-butenoic acid | [no description available] | medium | 1 | 0 | | |
24,25-dihydroxyvitamin d 3 | [no description available] | medium | 1 | 0 | | |
dicumarol | [no description available] | medium | 2 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
warfarin | [no description available] | medium | 6 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
clozapine | [no description available] | high | 26 | 1 | 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 |
clozapine | [no description available] | high | 26 | 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 |
oxypurinol | [no description available] | medium | 2 | 0 | pyrazolopyrimidine | drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor |
allopurinol | [no description available] | medium | 6 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
allopurinol | [no description available] | medium | 6 | 1 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
butaclamol | [no description available] | medium | 2 | 0 | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist |
benzene | [no description available] | medium | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
benzophenone | [no description available] | medium | 1 | 0 | benzophenones | photosensitizing agent; plant metabolite |
mesoridazine | [no description available] | medium | 2 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
perphenazine | [no description available] | medium | 8 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
perphenazine | [no description available] | medium | 8 | 1 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
prochlorperazine | [no description available] | medium | 7 | 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 |
prochlorperazine | [no description available] | medium | 7 | 1 | 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 |
tilorone | [no description available] | medium | 1 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
chlorobenzene | [no description available] | medium | 1 | 0 | monochlorobenzenes | solvent |
acridines | [no description available] | medium | 1 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
dextropropoxyphene | [no description available] | medium | 5 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
fluanisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
acetophenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
naloxone | [no description available] | medium | 42 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
cyclobenzaprine | [no description available] | medium | 4 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; local anaesthetic |
epinastine | [no description available] | medium | 3 | 0 | benzazepine; guanidines | anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug |
phenindamine | [no description available] | medium | 2 | 0 | indene | |
1-(1-naphthyl)piperazine | [no description available] | medium | 4 | 0 | N-arylpiperazine | |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 13 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
5-carboxamidotryptamine | [no description available] | medium | 8 | 0 | tryptamines | |
5-methoxytryptamine | [no description available] | medium | 15 | 0 | aromatic ether; primary amino compound; tryptamines | 5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist |
amoxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
cgs 12066 | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; pyrroloquinoxaline | serotonergic agonist |
fluoxetine | [no description available] | medium | 40 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
loxapine | [no description available] | medium | 7 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
methiothepin | [no description available] | high | 23 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
1-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; N-arylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
ritanserin | [no description available] | high | 25 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
methysergide | [no description available] | medium | 247 | 0 | ergoline alkaloid | |
methysergide | [no description available] | medium | 247 | 9 | ergoline alkaloid | |
2-bromolysergic acid diethylamide | [no description available] | medium | 5 | 0 | | |
dihydroergotamine | [no description available] | medium | 14 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
lisuride | [no description available] | medium | 8 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
lisuride | [no description available] | medium | 8 | 1 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
pergolide | [no description available] | medium | 7 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
mesulergine | [no description available] | medium | 8 | 0 | ergot alkaloid; sulfamides | antiparkinson drug; dopamine agonist; serotonergic antagonist |
5-benzyloxytryptamine | [no description available] | medium | 1 | 0 | | |
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline | geroprotector; serotonergic agonist |
lergotrile | [no description available] | medium | 2 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
histamine | [no description available] | medium | 112 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
histamine | [no description available] | medium | 112 | 19 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
cetirizine | [no description available] | high | 36 | 16 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
cetirizine | [no description available] | high | 36 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
dexchlorpheniramine | [no description available] | medium | 5 | 0 | chlorphenamine | |
dexchlorpheniramine | [no description available] | medium | 5 | 2 | chlorphenamine | |
w-a 335 | [no description available] | medium | 1 | 0 | | |
sertindole | [no description available] | medium | 1 | 0 | heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole | alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist |
irindalone | [no description available] | medium | 1 | 0 | | |
tefludazine | [no description available] | medium | 1 | 0 | | |
octoclothepine, (s)-isomer | [no description available] | medium | 1 | 0 | | |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | high | 13 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
sumatriptan | [no description available] | medium | 9 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
1-(2-methoxyphenyl)piperazine | [no description available] | medium | 2 | 0 | piperazines | |
methylbufotenin | [no description available] | medium | 1 | 0 | aromatic ether; tertiary amino compound; tryptamine alkaloid | hallucinogen; plant metabolite |
bromocriptine | [no description available] | medium | 52 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
bromocriptine | [no description available] | medium | 52 | 4 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
risperidone | [no description available] | high | 7 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
n,n-dimethyltryptamine | [no description available] | medium | 7 | 0 | tryptamine alkaloid; tryptamines | |
fluperlapine | [no description available] | medium | 1 | 0 | benzazepine | |
tiospirone | [no description available] | medium | 1 | 0 | | |
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indole | [no description available] | medium | 3 | 0 | indoles | |
ici 169369 | [no description available] | medium | 2 | 0 | | |
olanzapine | [no description available] | high | 8 | 1 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
olanzapine | [no description available] | high | 8 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
benzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
butyric acid | [no description available] | medium | 1 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
salicylic acid | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
gallic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen; metabolite |
hydroquinone | [no description available] | medium | 2 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
methanol | [no description available] | medium | 5 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
n,n-dimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline; tertiary amine | |
4-nitrophenol | [no description available] | medium | 2 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
pyrogallol | [no description available] | medium | 2 | 0 | benzenetriol; phenolic donor | plant metabolite |
tryptophan | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid | Daphnia magna metabolite |
vanillin | [no description available] | medium | 1 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
catechin | [no description available] | medium | 2 | 0 | hydroxyflavan | |
menthol | [no description available] | medium | 2 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
2-aminofluorene | [no description available] | medium | 1 | 0 | | |
homovanillic acid | [no description available] | medium | 5 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
6-hydroxymelatonin | [no description available] | medium | 1 | 0 | acetamides; tryptamines | metabolite; mouse metabolite |
oxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
acetaminophen | [no description available] | medium | 10 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
aspirin | [no description available] | medium | 31 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
aspirin | [no description available] | medium | 31 | 1 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
beta-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
bumetanide | [no description available] | medium | 3 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
ciprofibrate | [no description available] | medium | 2 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clofibrate | [no description available] | medium | 4 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clofibric acid | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
4-cresol | [no description available] | medium | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
danthron | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
dapsone | [no description available] | medium | 7 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
decanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
diflunisal | [no description available] | medium | 4 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
doxylamine | [no description available] | high | 3 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
emodin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
ethacrynic acid | [no description available] | medium | 4 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
fenoprofen | [no description available] | medium | 3 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
berotek | [no description available] | medium | 1 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
fluorescite | [no description available] | medium | 2 | 0 | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
furosemide | [no description available] | medium | 7 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
ketoprofen | [no description available] | medium | 6 | 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 |
ketotifen | [no description available] | high | 24 | 2 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
ketotifen | [no description available] | high | 24 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
labetalol | [no description available] | medium | 4 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lamotrigine | [no description available] | medium | 4 | 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 |
lauric acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antibacterial agent; plant metabolite |
losartan | [no description available] | medium | 3 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
meperidine | [no description available] | medium | 6 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mesalamine | [no description available] | medium | 3 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
mexiletine | [no description available] | medium | 2 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mitoxantrone | [no description available] | medium | 3 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
oxazepam | [no description available] | medium | 5 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxyphenbutazone | [no description available] | medium | 2 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
aminosalicylic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid; phenols | antitubercular agent |
phenolphthalein | [no description available] | medium | 2 | 0 | phenols | |
phenolsulfonphthalein | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
probenecid | [no description available] | medium | 6 | 0 | benzoic acids; sulfonamide | uricosuric drug |
propofol | [no description available] | medium | 4 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propyl gallate | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
1,2,5,8-tetrahydroxy anthraquinone | [no description available] | medium | 1 | 0 | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
salicylamide | [no description available] | medium | 2 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
sulfadimethoxine | [no description available] | medium | 3 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfathiazole | [no description available] | medium | 3 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
sulfinpyrazone | [no description available] | medium | 5 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
suprofen | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
temazepam | [no description available] | medium | 4 | 0 | benzodiazepine | |
terfenadine | [no description available] | medium | 46 | 0 | diarylmethane | |
terfenadine | [no description available] | medium | 46 | 19 | diarylmethane | |
thonzylamine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
tiaprofenic acid | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
triflupromazine | [no description available] | medium | 3 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
tripelennamine | [no description available] | medium | 17 | 0 | aromatic amine | |
zomepirac | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
estriol | [no description available] | medium | 2 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
2-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | bacterial metabolite |
tetrahydrocortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3alpha-hydroxy steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
prednisone | [no description available] | medium | 14 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
prednisone | [no description available] | medium | 14 | 2 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
tetrahydrocortisone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
estrone | [no description available] | medium | 3 | 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 |
etiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid | human metabolite; mouse metabolite |
dehydroepiandrosterone | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
hydroxyacetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | |
triiodothyronine | [no description available] | medium | 9 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
benz(a)anthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | |
chloramphenicol | [no description available] | medium | 6 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
ethinyl estradiol | [no description available] | medium | 3 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
desoxycorticosterone | [no description available] | medium | 5 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
norethindrone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
norethynodrel | [no description available] | medium | 2 | 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 |
ampicillin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
alizarin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | chromophore; dye; plant metabolite |
linalool | [no description available] | medium | 1 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
1,4-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | dye |
cyclizine | [no description available] | high | 3 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
2,6-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | antimutagen; plant metabolite |
9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
thymol | [no description available] | medium | 1 | 0 | monoterpenoid; phenols | volatile oil component |
1-naphthol | [no description available] | medium | 1 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
2-aminodiphenyl | [no description available] | medium | 2 | 0 | | |
2-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | antifungal agrochemical; environmental food contaminant |
quinoline | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
2-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | carcinogenic agent |
4-biphenylamine | [no description available] | medium | 2 | 0 | aminobiphenyl | carcinogenic agent |
4-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
benzidine | [no description available] | medium | 2 | 0 | biphenyls; substituted aniline | carcinogenic agent |
4,4'-dihydroxybiphenyl | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
propylparaben | [no description available] | medium | 1 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
methylparaben | [no description available] | medium | 1 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
4-isopropylphenol | [no description available] | medium | 1 | 0 | phenols | flavouring agent |
4-hydroxyacetophenone | [no description available] | medium | 1 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
4-benzylphenol | [no description available] | medium | 1 | 0 | | |
2-ethylhexanol | [no description available] | medium | 1 | 0 | primary alcohol | plant metabolite; volatile oil component |
2,2,2-trichloroethanol | [no description available] | medium | 1 | 0 | chloroethanol | mouse metabolite |
anthrarufin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
2-toluic acid | [no description available] | medium | 1 | 0 | methylbenzoic acid | xenobiotic metabolite |
ethyl-p-hydroxybenzoate | [no description available] | medium | 1 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
3-tert-butyl-4-hydroxyanisole | [no description available] | medium | 1 | 0 | aromatic ether; phenols | antioxidant; human xenobiotic metabolite |
1-naphthylamine | [no description available] | medium | 2 | 0 | naphthylamine | human xenobiotic metabolite |
2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
shikimic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
citronellol | [no description available] | medium | 1 | 0 | monoterpenoid | plant metabolite |
hexanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
pregnenolone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
ditiocarb | [no description available] | medium | 4 | 0 | dithiocarbamic acids | chelator; copper chelator |
mequinol | [no description available] | medium | 2 | 0 | methoxybenzenes; phenols | metabolite |
catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant; plant metabolite |
phenetidine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; substituted aniline | drug metabolite |
4-hydroxyphenobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
lithocholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
chenodeoxycholic acid | [no description available] | medium | 3 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
epitestosterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen antagonist; human metabolite |
chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
carvacrol | [no description available] | medium | 2 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
androstenediol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
1,2,3,4-tetrahydro-1-naphthalenol | [no description available] | medium | 1 | 0 | | |
4-iodophenol | [no description available] | medium | 1 | 0 | iodophenol | |
myristic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | medium | 1 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols; monohydroxyflavone | |
6-hydroxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | |
3-hydroxybiphenyl | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
diphenylamine | [no description available] | medium | 2 | 0 | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
alpha-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
4-propylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
hexafluoroisopropanol | [no description available] | medium | 1 | 0 | organofluorine compound; secondary alcohol | drug metabolite |
d-alpha tocopherol | [no description available] | medium | 4 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
fenchol | [no description available] | medium | 1 | 0 | | |
4-n-Butylphenol | [no description available] | medium | 1 | 0 | phenols | |
4-hydroxyazobenzene | [no description available] | medium | 1 | 0 | | |
4-nitrothiophenolate | [no description available] | medium | 1 | 0 | | |
5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 1 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite; human metabolite |
menthol | [no description available] | medium | 1 | 0 | p-menthan-3-ol | antipruritic drug; antispasmodic drug; antitussive |
hydroxyphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; phenols | metabolite |
mono-(2-ethylhexyl)phthalate | [no description available] | medium | 1 | 0 | phthalic acid monoester | |
1-naphthalenemethanol | [no description available] | medium | 1 | 0 | naphthylmethanol | mouse metabolite |
butylated hydroxyanisole | [no description available] | medium | 1 | 0 | | |
3-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
4-n-Pentylphenol | [no description available] | medium | 1 | 0 | phenols | |
9-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
daunorubicin | [no description available] | medium | 3 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
n-phenylethanolamine | [no description available] | medium | 1 | 0 | aralkylamine | |
4-ethylphenol | [no description available] | medium | 1 | 0 | phenols | fungal xenobiotic metabolite |
ursodeoxycholic acid | [no description available] | medium | 3 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
pregnanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
butylated hydroxytoluene | [no description available] | medium | 1 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
zidovudine | [no description available] | medium | 5 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
6-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
benoxaprofen | [no description available] | medium | 4 | 0 | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist |
2-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
octyl gallate | [no description available] | medium | 1 | 0 | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite |
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | [no description available] | medium | 2 | 0 | stilbenoid | |
2',7'-dichlorofluorescein | [no description available] | medium | 1 | 0 | 2-benzofurans | fluorochrome |
16-hydroxytestosterone | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid; diol; secondary alcohol | androgen |
2-methoxyestradiol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
5,6,7,8-tetrahydro-1-naphthol | [no description available] | medium | 1 | 0 | tetralins | |
alfatradiol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol | estrogen; geroprotector |
4-hydroxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | |
17-alpha-hydroxypregnenolone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
5-(3-hydroxyphenyl)-5-phenylhydantoin | [no description available] | medium | 1 | 0 | | |
7-amino-4-methylcoumarin | [no description available] | medium | 1 | 0 | 7-aminocoumarins | fluorochrome |
11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid | |
brexanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative |
3,5-diiodothyronine, (l)-isomer | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
harmol hydrochloride | [no description available] | medium | 1 | 0 | | |
diosgenin | [no description available] | medium | 2 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | medium | 2 | 0 | sapogenin | gout suppressant; plant metabolite |
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone | human urinary metabolite |
2-methoxyestriol | [no description available] | medium | 1 | 0 | | |
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | medium | 1 | 0 | hydroxylamine; imidazopyridine | carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite |
ecopipam | [no description available] | medium | 1 | 0 | benzazepine | |
ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
11-hydroxytestosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid | bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite |
norbuprenorphine | [no description available] | medium | 2 | 0 | phenanthrenes | |
benzo(a)pyrene-3,6-quinol | [no description available] | medium | 1 | 0 | | |
cortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
carbocysteine | [no description available] | medium | 1 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
5 alpha-androstane-3 beta,17 beta-diol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol | Daphnia magna metabolite; human metabolite |
cortol | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
21-hydroxypregnenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone | mouse metabolite |
2-hydroxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
epietiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite |
naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
2-hydroxyestrone | [no description available] | medium | 1 | 0 | 2-hydroxy steroid; catechols | human metabolite |
epiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; human metabolite |
naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
1-alpha-terpineol | [no description available] | medium | 1 | 0 | alpha-terpineol | plant metabolite |
diprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
ergosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
tretinoin | [no description available] | medium | 3 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
retinol | [no description available] | medium | 5 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
retinol | [no description available] | medium | 5 | 2 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
ferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
mycophenolic acid | [no description available] | medium | 4 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
geraniol | [no description available] | medium | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
dienestrol | [no description available] | medium | 1 | 0 | | |
captax | [no description available] | medium | 1 | 0 | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
chlorogenic acid | [no description available] | medium | 1 | 0 | cinnamate ester; tannin | food component; plant metabolite |
sch 23390 | [no description available] | medium | 2 | 0 | benzazepine | |
digitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid | |
quercetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
bilirubin | [no description available] | medium | 1 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
apigenin | [no description available] | medium | 1 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
scopoletin | [no description available] | medium | 1 | 0 | hydroxycoumarin | plant growth regulator; plant metabolite |
hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
vitamin d 2 | [no description available] | medium | 2 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
cholecalciferol | [no description available] | medium | 4 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
esculetin | [no description available] | medium | 1 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
7-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
baicalein | [no description available] | medium | 1 | 0 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
chrysin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
fisetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
galangin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
4-hydroxyestradiol | [no description available] | medium | 1 | 0 | 4-hydroxy steroid | metabolite |
isotretinoin | [no description available] | medium | 3 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
hyodeoxycholic acid | [no description available] | medium | 1 | 0 | 5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid | human metabolite; mouse metabolite |
hydromorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
nalorphine | [no description available] | medium | 6 | 0 | morphinane alkaloid | |
oxycodone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
oxymorphone | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
nalbuphine | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
cinnamyl alcohol | [no description available] | medium | 1 | 0 | cinnamyl alcohol | plant metabolite |
naltrexone | [no description available] | medium | 5 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
normorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
naltrindole benzofuran | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
naltrindole | [no description available] | medium | 1 | 0 | isoquinolines | |
19-hydroxycholesterol | [no description available] | medium | 1 | 0 | cholestanoid | |
borneol | [no description available] | medium | 1 | 0 | borneol | |
norcodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
4-hydroxyestrone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid | carcinogenic agent; estrogen; human urinary metabolite |
11 beta-hydroxyandrosterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
2-hydroxyestriol | [no description available] | medium | 1 | 0 | | |
novobiocin | [no description available] | medium | 2 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
tetracycline | [no description available] | medium | 4 | 0 | | |
4-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
rifampin | [no description available] | medium | 4 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
norclozapine | [no description available] | medium | 2 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
sb 258719 | [no description available] | medium | 3 | 0 | | |
sb258741 | [no description available] | medium | 3 | 0 | | |
pimethixene | [no description available] | medium | 3 | 0 | thioxanthenes | |
9-(aminomethyl)-9,10-dihydroanthracene | [no description available] | medium | 3 | 0 | | |
didesipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | |
bmy 7378 | [no description available] | medium | 1 | 0 | piperazines | |
nan 190 | [no description available] | medium | 3 | 0 | N-alkylpiperazine; N-arylpiperazine; phthalimides | serotonergic antagonist |
spiroxatrine | [no description available] | medium | 1 | 0 | imidazolidines | |
5-methylurapidil | [no description available] | medium | 1 | 0 | | |
ezogabine | [no description available] | medium | 2 | 0 | carbamate ester; organofluorine compound; secondary amino compound; substituted aniline | anticonvulsant; potassium channel modulator |
daidzein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
warangalone | [no description available] | medium | 1 | 0 | | |
sb 269970 | [no description available] | medium | 2 | 0 | sulfonamide | |
fluconazole | [no description available] | medium | 5 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flunitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
mefenamic acid | [no description available] | medium | 4 | 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 |
niflumic acid | [no description available] | medium | 2 | 0 | aromatic carboxylic acid; pyridines | |
sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
troglitazone | [no description available] | medium | 3 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
clonixin | [no description available] | medium | 1 | 0 | aminopyridine; organochlorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent |
etoposide | [no description available] | medium | 5 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
epirubicin | [no description available] | medium | 3 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
atovaquone | [no description available] | medium | 2 | 0 | hydroxy-1,2-naphthoquinone | |
sn 38 | [no description available] | medium | 1 | 0 | delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol | antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
ezetimibe | [no description available] | medium | 3 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
bms204352 | [no description available] | medium | 1 | 0 | | |
tacrolimus | [no description available] | medium | 6 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
almokalant | [no description available] | medium | 1 | 0 | | |
alpha-hydroxytamoxifen | [no description available] | medium | 1 | 0 | stilbenoid | |
tolcapone | [no description available] | medium | 3 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
entacapone | [no description available] | medium | 3 | 0 | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
cyclosporine | [no description available] | medium | 3 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
alvocidib | [no description available] | medium | 2 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
morphine-6-glucuronide | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
morphine-3-glucuronide | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
5-hydroxyrofecoxib | [no description available] | medium | 1 | 0 | | |
celecoxib | [no description available] | medium | 4 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fentanyl | [no description available] | high | 5 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
avapro | [no description available] | medium | 3 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
loratadine | [no description available] | high | 105 | 50 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
loratadine | [no description available] | high | 105 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
pindolol | [no description available] | high | 4 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
roxatidine acetate | [no description available] | medium | 1 | 0 | piperidines | |
imatinib | [no description available] | medium | 2 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
captopril | [no description available] | medium | 6 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
sulotroban | [no description available] | medium | 2 | 0 | | |
sch 37370 | [no description available] | medium | 1 | 0 | | |
duloxetine | [no description available] | medium | 3 | 0 | duloxetine | |
ziprasidone | [no description available] | medium | 2 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
prifelone | [no description available] | medium | 1 | 0 | aromatic ketone | |
sq 28603 | [no description available] | medium | 1 | 0 | | |
rupatadine | [no description available] | medium | 108 | 0 | benzocycloheptapyridine | |
rupatadine | [no description available] | medium | 108 | 39 | benzocycloheptapyridine | |
ml-3000 | [no description available] | medium | 1 | 0 | | |
mk 767 | [no description available] | medium | 1 | 0 | | |
bms 207940 | [no description available] | medium | 1 | 0 | | |
e 3040 | [no description available] | medium | 1 | 0 | benzothiazoles; organic hydroxy compound; pyridines; secondary amino compound | anti-inflammatory drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; uricosuric drug |
tropisetron | [no description available] | medium | 6 | 0 | indolyl carboxylic acid | |
l 365260 | [no description available] | medium | 1 | 0 | benzodiazepine | |
bosutinib | [no description available] | medium | 1 | 0 | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
6-(4-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridyl)hex-5-enoic acid | [no description available] | medium | 1 | 0 | | |
bms 248360 | [no description available] | medium | 1 | 0 | | |
sb-649915 | [no description available] | medium | 1 | 0 | | |
milnacipran | [no description available] | medium | 2 | 0 | acetamides | |
bupropion | [no description available] | medium | 7 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
amantadine | [no description available] | medium | 9 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amantadine | [no description available] | medium | 9 | 1 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amiodarone | [no description available] | medium | 3 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amlodipine | [no description available] | medium | 3 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
antazoline | [no description available] | high | 2 | 0 | aromatic amine; imidazolines; tertiary amino compound | cholinergic antagonist; H1-receptor antagonist; xenobiotic |
benfluorex | [no description available] | medium | 1 | 0 | benzoate ester | |
bromhexine | [no description available] | medium | 1 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
bromopride | [no description available] | medium | 1 | 0 | benzamides | |
bromperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
carbetapentane | [no description available] | medium | 1 | 0 | benzenes | |
chloroquine | [no description available] | medium | 24 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chloroquine | [no description available] | medium | 24 | 2 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
cisapride | [no description available] | medium | 2 | 0 | benzamides | |
citalopram | [no description available] | medium | 15 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
citalopram | [no description available] | medium | 15 | 3 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clebopride | [no description available] | medium | 1 | 0 | piperidines | |
clomiphene | [no description available] | medium | 3 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
cloperastine | [no description available] | medium | 1 | 0 | diarylmethane | |
diphenylpyraline | [no description available] | high | 1 | 0 | piperidines; tertiary amine | cholinergic antagonist; H1-receptor antagonist |
donepezil | [no description available] | medium | 2 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
cycloadiphenine | [no description available] | medium | 1 | 0 | benzenes | |
fendiline | [no description available] | medium | 1 | 0 | diarylmethane | |
fipexide | [no description available] | medium | 2 | 0 | benzodioxoles | |
flavoxate | [no description available] | medium | 2 | 0 | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
hydroxyurea | [no description available] | medium | 4 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
alverine | [no description available] | medium | 2 | 0 | tertiary amine | antispasmodic drug |
lofepramine | [no description available] | medium | 2 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
maprotiline | [no description available] | medium | 2 | 0 | anthracenes | |
mebeverine | [no description available] | medium | 1 | 0 | methoxybenzoic acid | |
mecamylamine | [no description available] | medium | 6 | 0 | primary aliphatic amine | |
memantine | [no description available] | medium | 3 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
mirtazapine | [no description available] | high | 6 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
norfluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
orphenadrine | [no description available] | medium | 3 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxidopamine | [no description available] | medium | 5 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
oxybutynin | [no description available] | medium | 3 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
oxyphencyclimine | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
perhexiline | [no description available] | medium | 2 | 0 | piperidines | cardiovascular drug |
periciazine | [no description available] | medium | 1 | 0 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
pridinol | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol | antiparkinson drug; muscle relaxant |
procyclidine | [no description available] | medium | 2 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
sibutramine | [no description available] | medium | 4 | 0 | organochlorine compound; tertiary amino compound | anti-obesity agent; serotonin uptake inhibitor |
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 3 | 0 | alkylbenzene | |
sulpiride | [no description available] | medium | 6 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
tofisopam | [no description available] | medium | 1 | 0 | organic molecular entity | |
ultram | [no description available] | medium | 3 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
trihexyphenidyl | [no description available] | medium | 2 | 0 | amine | |
trimeprazine | [no description available] | medium | 7 | 0 | phenothiazines | |
trimeprazine | [no description available] | medium | 7 | 1 | phenothiazines | |
trimipramine | [no description available] | medium | 2 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
xylometazoline | [no description available] | medium | 1 | 0 | alkylbenzene | |
camylofine | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
cycloheximide | [no description available] | medium | 2 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
azacitidine | [no description available] | medium | 3 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
selegiline | [no description available] | medium | 5 | 0 | selegiline; terminal acetylenic compound | geroprotector |
paroxetine | [no description available] | high | 9 | 1 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
paroxetine | [no description available] | high | 9 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
flupirtine | [no description available] | medium | 2 | 0 | aminopyridine | |
mifepristone | [no description available] | medium | 4 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
mibefradil | [no description available] | medium | 1 | 0 | tetralins | T-type calcium channel blocker |
esreboxetine | [no description available] | medium | 1 | 0 | aromatic ether | |
lercanidipine | [no description available] | medium | 1 | 0 | diarylmethane | |
sertraline | [no description available] | medium | 10 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
cloricromen | [no description available] | medium | 1 | 0 | coumarins | |
demecolcine | [no description available] | medium | 1 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
noscapine | [no description available] | medium | 2 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
etomidate | [no description available] | medium | 4 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
harmine | [no description available] | medium | 4 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
dextromethorphan | [no description available] | medium | 4 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
dextromethorphan | [no description available] | medium | 4 | 1 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
octopamine | [no description available] | medium | 12 | 0 | phenylethanolamines; tyramines | neurotransmitter |
tyramine | [no description available] | medium | 8 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
phenylalanine | [no description available] | medium | 6 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
gramine | [no description available] | medium | 1 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
ipsapirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
eltoprazine | [no description available] | medium | 1 | 0 | | |
mm 77 | [no description available] | medium | 1 | 0 | piperazines | |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
adenine | [no description available] | medium | 2 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
betaine | [no description available] | medium | 2 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
carnitine | [no description available] | medium | 3 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
carnitine | [no description available] | medium | 3 | 1 | amino-acid betaine | human metabolite; mouse metabolite |
aminocaproic acid | [no description available] | medium | 3 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
creatine | [no description available] | medium | 2 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
dimethyl sulfoxide | [no description available] | medium | 3 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
formaldehyde | [no description available] | medium | 5 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glycine | [no description available] | medium | 3 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
glycerol | [no description available] | medium | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
inositol | [no description available] | medium | 1 | 0 | cyclitol; hexol | |
niacinamide | [no description available] | medium | 3 | 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 | 4 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
orotic acid | [no description available] | medium | 2 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
4-aminobenzoic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
pyrazinamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyridoxine | [no description available] | medium | 4 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | medium | 2 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
urea | [no description available] | medium | 6 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
urea | [no description available] | medium | 6 | 2 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
acebutolol | [no description available] | medium | 2 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
acetazolamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohexamide | [no description available] | medium | 1 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
acetohydroxamic acid | [no description available] | medium | 2 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
albendazole | [no description available] | medium | 2 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
albuterol | [no description available] | medium | 4 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alfuzosin | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
ambroxol | [no description available] | medium | 1 | 0 | aromatic amine | |
aminoglutethimide | [no description available] | medium | 8 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
pimagedine | [no description available] | medium | 2 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
amobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
amsacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
anastrozole | [no description available] | medium | 2 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
atenolol | [no description available] | medium | 2 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | medium | 7 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
barbital | [no description available] | medium | 2 | 0 | barbiturates | drug allergen |
bendazac | [no description available] | medium | 2 | 0 | indazoles; monocarboxylic acid | non-steroidal anti-inflammatory drug; radical scavenger |
benzbromarone | [no description available] | medium | 2 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bicalutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls; imidazoles | |
bisoprolol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bromisovalum | [no description available] | medium | 1 | 0 | N-acylurea; organobromine compound | |
brotizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
busulfan | [no description available] | medium | 2 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
butalbital | [no description available] | medium | 1 | 0 | barbiturates | analgesic; sedative |
candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
carisoprodol | [no description available] | medium | 3 | 0 | carbamate ester | muscle relaxant |
carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
carprofen | [no description available] | medium | 1 | 0 | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
carvedilol | [no description available] | medium | 2 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
chloral hydrate | [no description available] | medium | 1 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
chlorambucil | [no description available] | medium | 2 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlormezanone | [no description available] | medium | 2 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
chlorpropamide | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorzoxazone | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
cinoxacin | [no description available] | medium | 1 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofloxacin | [no description available] | medium | 3 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
clioquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
clobazam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator |
clofazimine | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
clotiazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
clotrimazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
cyclandelate | [no description available] | medium | 1 | 0 | carboxylic ester; secondary alcohol | vasodilator agent |
deferoxamine | [no description available] | medium | 2 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
eflornithine | [no description available] | medium | 1 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
disopyramide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
disulfiram | [no description available] | medium | 6 | 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 |
econazole | [no description available] | medium | 3 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
enflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
enoxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
estazolam | [no description available] | medium | 3 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
estazolam | [no description available] | medium | 3 | 1 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
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 | 2 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
brl 42810 | [no description available] | medium | 2 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
felbamate | [no description available] | medium | 2 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fenofibrate | [no description available] | medium | 2 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
flecainide | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluorouracil | [no description available] | medium | 7 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluorouracil | [no description available] | medium | 7 | 1 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
flutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
fomepizole | [no description available] | medium | 2 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
gemfibrozil | [no description available] | medium | 2 | 0 | aromatic ether | antilipemic drug |
glafenine | [no description available] | medium | 2 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gliclazide | [no description available] | medium | 1 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
glutethimide | [no description available] | high | 2 | 0 | piperidines | |
glyburide | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
gossypol | [no description available] | medium | 1 | 0 | | |
guaiazulene | [no description available] | medium | 1 | 0 | sesquiterpene | |
fasudil | [no description available] | medium | 1 | 0 | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
halothane | [no description available] | medium | 4 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
hexestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
hexetidine | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound; organonitrogen heterocyclic compound | |
hexobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
hydralazine | [no description available] | medium | 3 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydrochlorothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
phenelzine | [no description available] | medium | 7 | 0 | primary amine | |
idebenone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor |
ifosfamide | [no description available] | medium | 2 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
amrinone | [no description available] | medium | 2 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indapamide | [no description available] | medium | 2 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iodipamide | [no description available] | medium | 1 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
iproniazid | [no description available] | medium | 6 | 0 | carbohydrazide; pyridines | |
isoflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
isoniazid | [no description available] | medium | 4 | 0 | carbohydrazide | antitubercular agent; drug allergen |
2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
isoproterenol | [no description available] | medium | 17 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
isoxsuprine | [no description available] | medium | 2 | 0 | alkylbenzene | |
isradipine | [no description available] | medium | 2 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
itraconazole | [no description available] | medium | 2 | 0 | piperazines | |
ketamine | [no description available] | medium | 3 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketoconazole | [no description available] | medium | 5 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
khellin | [no description available] | medium | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
lansoprazole | [no description available] | medium | 2 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
leflunomide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
lomustine | [no description available] | medium | 2 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
malathion | [no description available] | medium | 1 | 0 | diester; ethyl ester; organic thiophosphate | |
diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 1 | 0 | isopropyl ester | |
mazindol | [no description available] | medium | 2 | 0 | organic molecular entity | |
mebendazole | [no description available] | medium | 2 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclizine | [no description available] | medium | 4 | 0 | diarylmethane | |
meclofenoxate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
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 |
mephenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant |
meprobamate | [no description available] | medium | 4 | 0 | organic molecular entity | |
metformin | [no description available] | medium | 2 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
methoxsalen | [no description available] | medium | 2 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
methoxyflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
methyl salicylate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
methylphenidate | [no description available] | high | 11 | 1 | beta-amino acid ester; methyl ester; piperidines | |
methylphenidate | [no description available] | high | 11 | 0 | beta-amino acid ester; methyl ester; piperidines | |
methyprylon | [no description available] | medium | 1 | 0 | organic molecular entity | |
metoclopramide | [no description available] | high | 9 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metronidazole | [no description available] | medium | 2 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
metyrapone | [no description available] | medium | 16 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
midazolam | [no description available] | medium | 5 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
minoxidil | [no description available] | medium | 2 | 0 | dialkylarylamine; tertiary amino compound | |
mitotane | [no description available] | medium | 20 | 0 | diarylmethane | |
modafinil | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; sulfoxide | |
moxisylyte | [no description available] | medium | 2 | 0 | monoterpenoid | |
deet | [no description available] | medium | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
nabumetone | [no description available] | medium | 2 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nalidixic acid | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nefazodone | [no description available] | medium | 2 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nevirapine | [no description available] | medium | 2 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nialamide | [no description available] | medium | 7 | 0 | organonitrogen compound; organooxygen compound | |
niceritrol | [no description available] | medium | 1 | 0 | organic molecular entity | |
nilutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nimesulide | [no description available] | medium | 2 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nimodipine | [no description available] | medium | 4 | 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 |
nimodipine | [no description available] | medium | 4 | 1 | 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 |
nitrazepam | [no description available] | medium | 5 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nitroglycerin | [no description available] | medium | 3 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nizatidine | [no description available] | medium | 2 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
masoprocol | [no description available] | medium | 1 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
norfloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
omeprazole | [no description available] | medium | 2 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ondansetron | [no description available] | medium | 9 | 0 | carbazoles | |
oxamniquine | [no description available] | medium | 1 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound | |
oxaprozin | [no description available] | medium | 2 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxprenolol | [no description available] | medium | 2 | 0 | aromatic ether | |
oxybenzone | [no description available] | medium | 1 | 0 | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
pantoprazole | [no description available] | medium | 2 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
pemoline | [no description available] | medium | 2 | 0 | 1,3-oxazoles | central nervous system stimulant |
pentoxifylline | [no description available] | medium | 3 | 0 | oxopurine | |
perazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacetin | [no description available] | medium | 1 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
moxonidine | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
pinacidil | [no description available] | medium | 2 | 0 | pyridines | |
pipemidic acid | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
piperazine | [no description available] | medium | 1 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
praziquantel | [no description available] | medium | 2 | 0 | isoquinolines | |
primaquine | [no description available] | medium | 2 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
primidone | [no description available] | medium | 2 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
probucol | [no description available] | medium | 1 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
procarbazine | [no description available] | medium | 2 | 0 | benzamides; hydrazines | antineoplastic agent |
pyridinolcarbamate | [no description available] | medium | 1 | 0 | pyridines | |
ranitidine | [no description available] | medium | 1 | 0 | aralkylamine | |
opc 12759 | [no description available] | medium | 1 | 0 | secondary carboxamide | |
riluzole | [no description available] | medium | 2 | 0 | benzothiazoles | |
rofecoxib | [no description available] | medium | 2 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
sevoflurane | [no description available] | medium | 1 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
sulfadiazine | [no description available] | medium | 2 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
4-phenylbutyric acid, sodium salt | [no description available] | medium | 1 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug |
vorinostat | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
sulfameter | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; leprostatic drug; renal agent |
sulfamethazine | [no description available] | medium | 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 | 2 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfamethoxazole | [no description available] | medium | 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 |
sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulfaphenazole | [no description available] | medium | 1 | 0 | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor |
sulfapyridine | [no description available] | medium | 2 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
sulfapyridine | [no description available] | medium | 2 | 1 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
sulfasalazine | [no description available] | medium | 2 | 0 | | |
suramin | [no description available] | medium | 2 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
gatifloxacin | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
tegafur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
temozolomide | [no description available] | medium | 2 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
terbutaline | [no description available] | medium | 5 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
terbutaline | [no description available] | medium | 5 | 1 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
thalidomide | [no description available] | medium | 5 | 0 | phthalimides; piperidones | |
thiabendazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
ticlopidine | [no description available] | medium | 5 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tiopronin | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
tizanidine | [no description available] | medium | 3 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
tolazamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolbutamide | [no description available] | medium | 7 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
tolperisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
tranexamic acid | [no description available] | medium | 2 | 0 | amino acid | |
triclosan | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
trimethadione | [no description available] | medium | 2 | 0 | oxazolidinone | anticonvulsant; geroprotector |
venlafaxine | [no description available] | medium | 2 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
vigabatrin | [no description available] | medium | 2 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
ici 204,219 | [no description available] | medium | 3 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
ici 204,219 | [no description available] | medium | 3 | 1 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zolpidem | [no description available] | medium | 2 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
guanidine hydrochloride | [no description available] | medium | 1 | 0 | one-carbon compound; organic chloride salt | protein denaturant |
hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
cortisone acetate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
mitomycin | [no description available] | medium | 2 | 0 | mitomycin | alkylating agent; antineoplastic agent |
prednisolone | [no description available] | medium | 13 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
sorbitol | [no description available] | medium | 3 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
bromouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; pyrimidines | mutagen |
histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
dextroamphetamine | [no description available] | medium | 25 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
norethindrone acetate | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound | progestin; synthetic oral contraceptive |
spironolactone | [no description available] | medium | 4 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
cyclobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
allobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
penicillamine | [no description available] | medium | 4 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
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 |
oxandrolone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
nad | [no description available] | medium | 1 | 0 | NAD | geroprotector |
penicillin g | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
glutamine | [no description available] | medium | 4 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
cetrimonium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
vincristine | [no description available] | medium | 2 | 0 | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
physostigmine | [no description available] | medium | 15 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
sucrose | [no description available] | medium | 4 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
testosterone propionate | [no description available] | medium | 1 | 0 | steroid ester | |
aminopyrine | [no description available] | medium | 6 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
methyltestosterone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
cephalothin | [no description available] | medium | 1 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
kanamycin a | [no description available] | medium | 2 | 0 | kanamycins | bacterial metabolite |
phenylephrine | [no description available] | medium | 5 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
levodopa | [no description available] | medium | 21 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
levodopa | [no description available] | medium | 21 | 3 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
niridazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound | |
lactose | [no description available] | medium | 5 | 0 | lactose | |
lactose | [no description available] | medium | 5 | 2 | lactose | |
methionine | [no description available] | medium | 2 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
Mebutamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
colchicine | [no description available] | medium | 6 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
benziodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
mannitol | [no description available] | medium | 3 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
cytarabine | [no description available] | medium | 3 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
methaqualone | [no description available] | medium | 1 | 0 | quinazolines | GABA agonist; sedative |
trypan blue | [no description available] | medium | 1 | 0 | | |
tryptophan | [no description available] | medium | 31 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
arginine | [no description available] | medium | 10 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
arginine | [no description available] | medium | 10 | 1 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
trichloroacetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
triamcinolone acetonide | [no description available] | high | 4 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
allylpropymal | [no description available] | medium | 1 | 0 | barbiturates | |
butobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
methylprednisolone | [no description available] | medium | 10 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
methylprednisolone | [no description available] | medium | 10 | 1 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
isosorbide dinitrate | [no description available] | medium | 3 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
synephrine | [no description available] | medium | 1 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
benzoyl peroxide | [no description available] | medium | 1 | 0 | carbonyl compound | |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
ergotamine | [no description available] | medium | 26 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
ergotamine | [no description available] | medium | 26 | 1 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
phenformin | [no description available] | medium | 2 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
hexachlorobenzene | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
trinitrotoluene | [no description available] | medium | 1 | 0 | trinitrotoluene | explosive |
framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
meglumine | [no description available] | medium | 1 | 0 | hexosamine; secondary amino compound | |
cinchophen | [no description available] | medium | 2 | 0 | quinolines | |
quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
dydrogesterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin |
ephedrine | [no description available] | medium | 18 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
ephedrine | [no description available] | medium | 18 | 11 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
2,3-dimercaptosuccinic acid | [no description available] | medium | 1 | 0 | | |
evans blue | [no description available] | medium | 3 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester; sterol ester | androgen |
aminophylline | [no description available] | medium | 8 | 0 | mixture | bronchodilator agent; cardiotonic drug |
phenyramidol | [no description available] | medium | 1 | 0 | aminopyridine | |
carbutamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
nandrolone decanoate | [no description available] | medium | 2 | 0 | steroid ester | |
bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; butanamides; butyrate ester | agonist; cardiotonic drug; vasodilator agent |
betamethasone | [no description available] | medium | 5 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
betamethasone | [no description available] | medium | 5 | 1 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
perflubron | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; perfluorinated compound | blood substitute; radioopaque medium |
cyproterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
dihydralazine | [no description available] | medium | 1 | 0 | phthalazines | |
phenylpropanolamine | [no description available] | medium | 2 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
podophyllotoxin | [no description available] | medium | 2 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
methamphetamine | [no description available] | medium | 8 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
hematoporphyrin | [no description available] | medium | 2 | 0 | | |
lactulose | [no description available] | medium | 2 | 0 | glycosylfructose | gastrointestinal drug; laxative |
megestrol acetate | [no description available] | medium | 10 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
megestrol acetate | [no description available] | medium | 10 | 2 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
acetylcysteine | [no description available] | medium | 2 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
erythromycin stearate | [no description available] | medium | 1 | 0 | aminoglycoside | |
erythromycin | [no description available] | medium | 2 | 0 | cyclic ketone; erythromycin | |
vinblastine | [no description available] | medium | 1 | 0 | | |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
vancomycin | [no description available] | medium | 2 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
dronabinol | [no description available] | medium | 9 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
amiloride | [no description available] | medium | 3 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
sulfadoxine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
acadesine | [no description available] | medium | 1 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
stavudine | [no description available] | medium | 2 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
doxifluridine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
iproclozide | [no description available] | medium | 1 | 0 | aromatic ether | |
streptomycin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
cladribine | [no description available] | medium | 2 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
carbenicillin disodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
dehydroemetine | [no description available] | medium | 1 | 0 | aromatic ether; isoquinolines; pyridoisoquinoline | antileishmanial agent; antimalarial; antiprotozoal drug |
benorilate | [no description available] | medium | 1 | 0 | carbonyl compound | |
trimetazidine | [no description available] | medium | 1 | 0 | aromatic amine | |
floxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
tiadenol | [no description available] | medium | 1 | 0 | aliphatic sulfide | |
zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
camptothecin | [no description available] | medium | 1 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
stanozolol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol | anabolic agent; androgen |
clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
xipamide | [no description available] | medium | 1 | 0 | benzamides | |
levamisole | [no description available] | medium | 2 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
thiamphenicol | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
isosorbide-5-mononitrate | [no description available] | medium | 1 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
danazol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
carbimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
triamcinolone | [no description available] | high | 2 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
oxyphenisatin | [no description available] | medium | 2 | 0 | indoles | |
tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
butachlor | [no description available] | medium | 1 | 0 | aromatic amide; organochlorine compound; tertiary carboxamide | environmental contaminant; herbicide; xenobiotic |
rose bengal b disodium salt | [no description available] | medium | 1 | 0 | | |
glutamic acid | [no description available] | medium | 2 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
cefazolin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
amoxicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
nicergoline | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
oxcarbazepine | [no description available] | medium | 2 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
amineptin | [no description available] | medium | 2 | 0 | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
pirprofen | [no description available] | medium | 2 | 0 | pyrroline | |
tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
paclitaxel | [no description available] | medium | 2 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
dobutamine | [no description available] | medium | 2 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
ribavirin | [no description available] | medium | 2 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
amikacin | [no description available] | medium | 2 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
ticrynafen | [no description available] | medium | 2 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
methyldopa | [no description available] | medium | 13 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
bezafibrate | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
sq-11725 | [no description available] | medium | 1 | 0 | | |
permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
desogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
muzolimine | [no description available] | medium | 1 | 0 | dichlorobenzene | |
desflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
piperacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
cefoperazone | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
foscarnet sodium | [no description available] | medium | 1 | 0 | one-carbon compound; organic sodium salt | antiviral drug |
moxalactam | [no description available] | medium | 1 | 0 | cephalosporin; oxacephem | antibacterial drug |
nicorandil | [no description available] | medium | 1 | 0 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
cefadroxil anhydrous | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
encainide | [no description available] | medium | 1 | 0 | benzamides; piperidines | anti-arrhythmia drug; sodium channel blocker |
cefaclor anhydrous | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug; drug allergen |
miglustat | [no description available] | medium | 2 | 0 | piperidines; tertiary amino compound | anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
cefotetan | [no description available] | medium | 2 | 0 | | |
lovastatin | [no description available] | medium | 2 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
piritrexim | [no description available] | medium | 1 | 0 | | |
simvastatin | [no description available] | medium | 2 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
pravastatin | [no description available] | medium | 2 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
atomoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic uptake inhibitor; antidepressant |
quinapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
gepirone | [no description available] | medium | 2 | 0 | N-arylpiperazine | |
sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
zileuton | [no description available] | medium | 3 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
clopidogrel | [no description available] | medium | 3 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
cidofovir anhydrous | [no description available] | medium | 2 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
bromfenac | [no description available] | medium | 2 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
atorvastatin | [no description available] | medium | 2 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lamivudine | [no description available] | medium | 2 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
irinotecan | [no description available] | medium | 2 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
valsartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
capecitabine | [no description available] | medium | 2 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
adenosine | [no description available] | medium | 6 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
halofuginone | [no description available] | medium | 1 | 0 | quinazolines | |
ortho-cept | [no description available] | medium | 1 | 0 | | |
cefprozil | [no description available] | medium | 2 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
efavirenz | [no description available] | medium | 4 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
efavirenz | [no description available] | medium | 4 | 1 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nelfinavir | [no description available] | medium | 2 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
doxapram hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | central nervous system stimulant |
1,5-anhydroglucitol | [no description available] | medium | 1 | 0 | anhydro sugar | human metabolite |
betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
amprenavir | [no description available] | medium | 2 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
bendamustine | [no description available] | medium | 2 | 0 | benzimidazoles | |
erdosteine | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
mizolastine | [no description available] | medium | 1 | 0 | benzimidazoles | |
intoplicine | [no description available] | medium | 1 | 0 | pyridoindole | |
telmisartan | [no description available] | medium | 2 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
picosulfate sodium | [no description available] | medium | 1 | 0 | aryl sulfate; pyridines | |
dienogest | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone | progesterone receptor agonist; progestin; synthetic oral contraceptive |
morphazinamide | [no description available] | medium | 1 | 0 | morpholines; pyrazines; secondary carboxamide | |
dexrazoxane | [no description available] | medium | 2 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
voriconazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
cyclobutyrol | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | bile therapy drug |
terlipressin | [no description available] | medium | 1 | 0 | polypeptide | |
isoflavone | [no description available] | medium | 1 | 0 | isoflavones | |
clevudine | [no description available] | medium | 1 | 0 | | |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
rosiglitazone | [no description available] | medium | 2 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
clarithromycin | [no description available] | medium | 2 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
lopinavir | [no description available] | medium | 1 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
bosentan anhydrous | [no description available] | medium | 2 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
selenomethionine | [no description available] | medium | 1 | 0 | amino acid zwitterion; selenomethionine | plant metabolite |
perindopril | [no description available] | medium | 2 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
fingolimod | [no description available] | medium | 1 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
ecteinascidin 743 | [no description available] | medium | 1 | 0 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite |
nitisinone | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
clofarabine | [no description available] | medium | 2 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
mitiglinide | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
gefitinib | [no description available] | medium | 2 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 2 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
antiprimod | [no description available] | medium | 1 | 0 | | |
sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
olmesartan medoxomil | [no description available] | medium | 2 | 0 | biphenyls | |
ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
docetaxel | [no description available] | medium | 1 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
atazanavir | [no description available] | medium | 2 | 0 | carbohydrazide | antiviral drug; HIV protease inhibitor |
levofloxacin | [no description available] | medium | 2 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
cariporide | [no description available] | medium | 1 | 0 | | |
tezosentan | [no description available] | medium | 1 | 0 | | |
moxifloxacin | [no description available] | medium | 2 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
jtt 501 | [no description available] | medium | 1 | 0 | | |
cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
paromomycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
avasimibe | [no description available] | medium | 1 | 0 | monoterpenoid | |
troleandomycin | [no description available] | medium | 1 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
deferasirox | [no description available] | medium | 2 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
tbc-11251 | [no description available] | medium | 2 | 0 | benzodioxoles | |
sitosterol, (3beta)-isomer | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol | anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor |
benzarone | [no description available] | medium | 2 | 0 | 1-benzofurans | |
estramustine | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
homoharringtonine | [no description available] | medium | 1 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
o-(chloroacetylcarbamoyl)fumagillol | [no description available] | medium | 1 | 0 | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
bortezomib | [no description available] | medium | 3 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
ritonavir | [no description available] | medium | 2 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
nexavar | [no description available] | medium | 1 | 0 | organosulfonate salt | |
glucosamine | [no description available] | medium | 1 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
meropenem | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
griseofulvin | [no description available] | medium | 2 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
saquinavir | [no description available] | medium | 2 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
netilmicin | [no description available] | medium | 1 | 0 | | |
trimethaphan camsylate | [no description available] | medium | 1 | 0 | | |
erythromycin estolate | [no description available] | medium | 1 | 0 | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
devazepide | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
tolterodine | [no description available] | medium | 2 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
erythromycin ethylsuccinate | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
ao 128 | [no description available] | medium | 1 | 0 | organic molecular entity | |
acarbose | [no description available] | medium | 1 | 0 | amino cyclitol; glycoside | |
alpha-D-fructofuranose 1,6-bisphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 1,6-bisphosphate | |
docosahexaenoate | [no description available] | medium | 1 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
oleic acid | [no description available] | medium | 2 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
cerivastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
rosuvastatin | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
eicosapentaenoic acid | [no description available] | medium | 1 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
clindamycin | [no description available] | medium | 2 | 0 | | |
fosfomycin | [no description available] | medium | 2 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
zithromax | [no description available] | medium | 4 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
zithromax | [no description available] | medium | 4 | 1 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
drf 2725 | [no description available] | medium | 1 | 0 | | |
alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
decitabine | [no description available] | medium | 2 | 0 | 2'-deoxyribonucleoside | |
teniposide | [no description available] | medium | 2 | 0 | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
dactinomycin | [no description available] | medium | 2 | 0 | actinomycin | mutagen |
tiazofurin | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
melphalan | [no description available] | medium | 2 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
tenofovir | [no description available] | medium | 2 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
rubitecan | [no description available] | medium | 1 | 0 | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
micafungin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
riboflavin | [no description available] | medium | 2 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
sodium bicarbonate | [no description available] | medium | 2 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
sodium benzoate | [no description available] | medium | 1 | 0 | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
dipyrone | [no description available] | medium | 2 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
ditiocarb sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbenoxolone | [no description available] | medium | 1 | 0 | | |
discodermolide | [no description available] | medium | 1 | 0 | diterpenoid | |
cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
propylthiouracil | [no description available] | medium | 2 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
mercaptopurine | [no description available] | medium | 4 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
methimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
sulindac | [no description available] | medium | 2 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
capsaicin | [no description available] | medium | 4 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
terbinafine | [no description available] | medium | 2 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
thioguanine anhydrous | [no description available] | medium | 3 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
sodium propionate | [no description available] | medium | 1 | 0 | organic sodium salt | antifungal drug; food preservative |
digoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
streptozocin | [no description available] | medium | 2 | 0 | | |
ethionamide | [no description available] | medium | 2 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
fusidic acid | [no description available] | medium | 2 | 0 | 11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor |
estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
hmr 3647 | [no description available] | medium | 2 | 0 | | |
toremifene | [no description available] | medium | 2 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
droloxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
or 1259 | [no description available] | medium | 1 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
gestodene | [no description available] | medium | 1 | 0 | steroid | estrogen |
orlistat | [no description available] | medium | 2 | 0 | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
idoxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
silybin | [no description available] | medium | 1 | 0 | | |
chloramine-t | [no description available] | medium | 1 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
flosequinan | [no description available] | medium | 1 | 0 | quinolines | |
calcitriol | [no description available] | medium | 2 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
amphotericin b | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
clavulanic acid | [no description available] | medium | 1 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
pulmicort | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
oxymetholone | [no description available] | medium | 2 | 0 | | |
montelukast | [no description available] | medium | 4 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
montelukast | [no description available] | medium | 4 | 1 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
mycophenolate mofetil | [no description available] | medium | 2 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
astaxanthine | [no description available] | medium | 1 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
diosmin | [no description available] | medium | 1 | 0 | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant |
cynarine | [no description available] | medium | 1 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
sdz psc 833 | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
tranilast | [no description available] | medium | 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 |
etretinate | [no description available] | medium | 1 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
misoprostol | [no description available] | medium | 1 | 0 | | |
ozagrel | [no description available] | medium | 1 | 0 | cinnamic acids | |
pitavastatin | [no description available] | medium | 2 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
alatrofloxacin mesylate | [no description available] | medium | 2 | 0 | | |
natamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic | antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug |
acitretin | [no description available] | medium | 2 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
dothiepin | [no description available] | medium | 1 | 0 | dothiepin | |
levetiracetam | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
sirolimus | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
topiramate | [no description available] | medium | 3 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
seocalcitol | [no description available] | medium | 1 | 0 | | |
fenretinide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
geldanamycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor |
demycarosylturimycin h | [no description available] | medium | 1 | 0 | | |
iloprost | [no description available] | medium | 1 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
vinorelbine | [no description available] | medium | 2 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
furazolidone | [no description available] | medium | 1 | 0 | | |
fluvoxamine | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
semaxinib | [no description available] | medium | 1 | 0 | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
orantinib | [no description available] | medium | 1 | 0 | | |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
molsidomine | [no description available] | medium | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
cefixime | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug; drug allergen |
lisinopril | [no description available] | medium | 2 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
ramipril | [no description available] | medium | 2 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
indinavir sulfate | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
enalapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
nitrofurazone | [no description available] | medium | 1 | 0 | | |
bleomycin | [no description available] | medium | 2 | 0 | bleomycin | antineoplastic agent; metabolite |
enalaprilat anhydrous | [no description available] | medium | 2 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
imidapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
sulindac sulfone | [no description available] | medium | 1 | 0 | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
ximelagatran | [no description available] | medium | 2 | 0 | amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor |
ceftriaxone | [no description available] | medium | 2 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
trandolapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
famotidine | [no description available] | medium | 2 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cefotaxime | [no description available] | medium | 2 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
aztreonam | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
proguanil | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rifamycin sv | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins | antimicrobial agent; antitubercular agent; bacterial metabolite |
epoprostenol sodium | [no description available] | medium | 1 | 0 | prostanoid | |
ixabepilone | [no description available] | medium | 2 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
azlocillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial drug |
dantrolene sodium | [no description available] | medium | 1 | 0 | | |
nitrofurantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
nifurtimox | [no description available] | medium | 1 | 0 | nitrofuran antibiotic | |
roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant; xenobiotic |
beraprost | [no description available] | medium | 1 | 0 | enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
lanreotide | [no description available] | medium | 1 | 0 | | |
lu 208075 | [no description available] | medium | 2 | 0 | diarylmethane | |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acetylcarnitine; saturated fatty acyl-L-carnitine | human metabolite; Saccharomyces cerevisiae metabolite |
nifurtoinol | [no description available] | medium | 1 | 0 | hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
fosinopril | [no description available] | medium | 2 | 0 | | |
eflucimibe | [no description available] | medium | 1 | 0 | | |
etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
pentagastrin | [no description available] | medium | 6 | 0 | organic molecular entity | |
gentamicin sulfate | [no description available] | medium | 1 | 0 | | |
azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
vinflunine | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid | antineoplastic agent |
baci-im | [no description available] | medium | 2 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
pf 03491390 | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 1 | 0 | | |
tannins | [no description available] | medium | 1 | 0 | tannin | |
mesna | [no description available] | medium | 2 | 0 | organosulfonic acid | |
cerivastatin sodium | [no description available] | medium | 1 | 0 | organic sodium salt; statin (synthetic) | |
monensin | [no description available] | medium | 1 | 0 | | |
oxacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt; organoiodine compound | radioopaque medium |
ascorbic acid | [no description available] | medium | 6 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
chlortetracycline | [no description available] | medium | 1 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 3 | 0 | | |
minocycline | [no description available] | medium | 2 | 0 | | |
piroxicam | [no description available] | medium | 2 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
acenocoumarol | [no description available] | medium | 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 | 2 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
mobiflex | [no description available] | medium | 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 |
phenprocoumon | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
rolitetracycline | [no description available] | medium | 1 | 0 | | |
lornoxicam | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ajmaline | [no description available] | medium | 1 | 0 | | |
entecavir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
acyclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
inosine | [no description available] | medium | 1 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
folic acid | [no description available] | medium | 2 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
dacarbazine | [no description available] | medium | 2 | 0 | dacarbazine | |
didanosine | [no description available] | medium | 2 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
ganciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
sildenafil | [no description available] | medium | 2 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
raltitrexed | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
leucovorin | [no description available] | medium | 2 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
alanosine | [no description available] | medium | 1 | 0 | | |
tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
rifabutin | [no description available] | medium | 2 | 0 | | |
dasatinib | [no description available] | medium | 2 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
pci 32765 | [no description available] | medium | 1 | 0 | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
cgi 1746 | [no description available] | medium | 1 | 0 | | |
rn486 | [no description available] | medium | 1 | 0 | | |
lfm a13 | [no description available] | medium | 1 | 0 | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
sorafenib | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
N-(3-nitrophenyl)-1,3-benzodioxole-5-carboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
alaproclate | [no description available] | medium | 2 | 0 | alpha-amino acid ester | |
alendronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
alprazolam | [no description available] | medium | 2 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
alprazolam | [no description available] | medium | 2 | 1 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
ambenonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
amifostine anhydrous | [no description available] | medium | 1 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
p-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
betaxolol | [no description available] | medium | 1 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bethanechol | [no description available] | medium | 1 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
secbutabarbital | [no description available] | medium | 1 | 0 | barbiturates | |
candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
chlorcyclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
chlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chlorthalidone | [no description available] | medium | 2 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cilostazol | [no description available] | medium | 1 | 0 | lactam; tetrazoles | anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
clonazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
chlorazepate | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
cyclofenil | [no description available] | medium | 1 | 0 | organic molecular entity | |
dichlorphenamide | [no description available] | medium | 1 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
dimercaprol | [no description available] | medium | 1 | 0 | dithiol; primary alcohol | chelator |
doxapram | [no description available] | medium | 1 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
doxazosin | [no description available] | medium | 1 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
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 |
edrophonium | [no description available] | medium | 1 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
ethosuximide | [no description available] | medium | 1 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
ethotoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
fenoldopam | [no description available] | medium | 1 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
fexofenadine | [no description available] | high | 6 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
flurazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
foscarnet | [no description available] | medium | 1 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
gabapentin | [no description available] | medium | 3 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glimepiride | [no description available] | medium | 1 | 0 | sulfonamide | |
glipizide | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | medium | 1 | 0 | benzenes | |
granisetron | [no description available] | medium | 1 | 0 | aromatic amide; indazoles | |
guaifenesin | [no description available] | medium | 3 | 0 | methoxybenzenes | |
guaifenesin | [no description available] | medium | 3 | 1 | methoxybenzenes | |
guanethidine | [no description available] | medium | 5 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
guanethidine | [no description available] | medium | 5 | 1 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
hydroxychloroquine | [no description available] | medium | 2 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
ioversol | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
isocarboxazid | [no description available] | medium | 1 | 0 | benzenes | |
ketorolac | [no description available] | medium | 1 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
letrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
lomefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
mechlorethamine | [no description available] | medium | 1 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
meclofenamic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
mepenzolate | [no description available] | medium | 1 | 0 | diarylmethane | |
metaproterenol | [no description available] | medium | 1 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
methyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | |
metolazone | [no description available] | medium | 1 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
midodrine | [no description available] | medium | 1 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
milrinone | [no description available] | medium | 1 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
nadolol | [no description available] | medium | 1 | 0 | tetralins | |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
nicardipine | [no description available] | medium | 1 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
pamidronate | [no description available] | medium | 1 | 0 | phosphonoacetic acid | |
pentamidine | [no description available] | medium | 1 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
phentermine | [no description available] | medium | 2 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
pioglitazone | [no description available] | medium | 1 | 0 | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic |
polythiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | |
duodote | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
propafenone | [no description available] | medium | 1 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
propantheline | [no description available] | medium | 2 | 0 | xanthenes | |
pyridostigmine | [no description available] | medium | 1 | 0 | pyridinium ion | |
sch 16134 | [no description available] | medium | 1 | 0 | benzodiazepine | |
quetiapine | [no description available] | medium | 1 | 0 | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist |
rabeprazole | [no description available] | medium | 1 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
raloxifene | [no description available] | medium | 1 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
rizatriptan | [no description available] | medium | 2 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
ropinirole | [no description available] | medium | 1 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
salicylsalicylic acid | [no description available] | medium | 1 | 0 | benzoate ester; benzoic acids; phenols; salicylates | antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
risedronic acid | [no description available] | medium | 1 | 0 | pyridines | |
succinylcholine | [no description available] | medium | 2 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
terazosin | [no description available] | medium | 1 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
thiotepa | [no description available] | medium | 1 | 0 | aziridines | |
tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
tolmetin | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic; sodium channel blocker |
triazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | sedative |
trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides; tertiary amino compound | antiemetic |
trimetrexate | [no description available] | medium | 1 | 0 | | |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
zaleplon | [no description available] | medium | 1 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zonisamide | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
cysteine | [no description available] | medium | 1 | 0 | cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite |
edetic acid | [no description available] | medium | 5 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
cysteamine | [no description available] | medium | 1 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
mepazine | [no description available] | medium | 1 | 0 | phenothiazines | |
cloxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
calcium acetate | [no description available] | medium | 1 | 0 | calcium salt | chelator |
mebanazine | [no description available] | medium | 1 | 0 | benzenes | |
oxacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial agent; antibacterial drug |
cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
perflutren | [no description available] | medium | 1 | 0 | fluoroalkane; fluorocarbon | |
fluoxymesterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
methsuximide | [no description available] | medium | 1 | 0 | organic molecular entity | |
tromethamine | [no description available] | medium | 3 | 0 | primary amino compound; triol | buffer |
penicillin v | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
pseudoephedrine | [no description available] | medium | 5 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
pseudoephedrine | [no description available] | medium | 5 | 2 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
diethylpropion | [no description available] | high | 4 | 0 | aromatic ketone; tertiary amine | appetite depressant |
benzonatate | [no description available] | medium | 1 | 0 | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive |
methylergonovine | [no description available] | medium | 2 | 0 | ergoline alkaloid | |
nafcillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
methohexital | [no description available] | medium | 1 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
galantamine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
4-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
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 |
dimenhydrinate | [no description available] | medium | 2 | 0 | diarylmethane | |
levocarnitine | [no description available] | medium | 1 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
sulfanilylurea | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
pamabrom | [no description available] | medium | 1 | 0 | | |
levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
diphenoxylate | [no description available] | high | 2 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal drug |
ethambutol | [no description available] | medium | 1 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
ibufenac | [no description available] | medium | 1 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
metaxalone | [no description available] | medium | 1 | 0 | aromatic ether | |
spectinomycin | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
dexbrompheniramine | [no description available] | medium | 1 | 0 | brompheniramine | anti-allergic agent; H1-receptor antagonist |
dicloxacillin | [no description available] | medium | 1 | 0 | dichlorobenzene; penicillin | antibacterial drug |
megestrol | [no description available] | medium | 4 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
megestrol | [no description available] | medium | 4 | 1 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
carbenicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
clomacran | [no description available] | medium | 1 | 0 | acridines | |
methenamine hippurate | [no description available] | medium | 1 | 0 | N-acylglycine | |
olsalazine | [no description available] | medium | 1 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
sodium thiosulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
clemastine | [no description available] | high | 14 | 8 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
clemastine | [no description available] | high | 14 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
cephalexin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
fenclozic acid | [no description available] | medium | 1 | 0 | | |
laxagetten 4,4'-diacetoxydiphenylpyridylemethane | [no description available] | medium | 1 | 0 | | |
fludarabine phosphate | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
alclofenac | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fludrocortisone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid | adrenergic agent; anti-inflammatory drug |
clometacin | [no description available] | medium | 1 | 0 | N-acylindole | |
carbidopa | [no description available] | medium | 1 | 0 | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
moricizine | [no description available] | medium | 1 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
penbutolol | [no description available] | medium | 2 | 0 | ethanolamines | |
cephradine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
vecuronium | [no description available] | medium | 1 | 0 | acetate ester; androstane; quaternary ammonium ion | drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist |
exifone | [no description available] | medium | 1 | 0 | benzophenones | |
mefloquine | [no description available] | medium | 1 | 0 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
nitazoxanide | [no description available] | medium | 1 | 0 | benzamides; carboxylic ester | |
acarbose | [no description available] | medium | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent |
torsemide | [no description available] | medium | 1 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
idarubicin | [no description available] | medium | 1 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
atracurium | [no description available] | medium | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
fialuridine | [no description available] | medium | 1 | 0 | | |
alfentanil | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
haloperidol decanoate | [no description available] | medium | 1 | 0 | organic molecular entity | |
tolrestat | [no description available] | medium | 1 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
balsalazide | [no description available] | medium | 1 | 0 | | |
cabergoline | [no description available] | medium | 2 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
atomoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
alpidem | [no description available] | medium | 1 | 0 | imidazoles | |
fosphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
finasteride | [no description available] | medium | 1 | 0 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
esmolol | [no description available] | medium | 1 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
aromasil | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
topotecan | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
ibutilide | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
aripiprazole | [no description available] | high | 2 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
remifentanil | [no description available] | medium | 1 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
ibandronic acid | [no description available] | medium | 1 | 0 | | |
zolmitriptan | [no description available] | medium | 2 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
tasosartan | [no description available] | medium | 1 | 0 | biphenyls | |
tiludronic acid | [no description available] | medium | 1 | 0 | organochlorine compound | |
tirofiban | [no description available] | medium | 1 | 0 | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
trovafloxacin | [no description available] | medium | 1 | 0 | | |
fenofibric acid | [no description available] | medium | 1 | 0 | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
plerixafor | [no description available] | medium | 1 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
oseltamivir | [no description available] | medium | 1 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
histamine phosphate | [no description available] | medium | 2 | 0 | phosphate salt | histamine agonist |
histamine phosphate | [no description available] | medium | 2 | 1 | phosphate salt | histamine agonist |
tilbroquinol | [no description available] | medium | 1 | 0 | organohalogen compound; quinolines | |
droxicam | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
ebrotidine | [no description available] | medium | 1 | 0 | sulfonamide | |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
acamprosate | [no description available] | medium | 1 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
isaxonine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
hp 873 | [no description available] | high | 1 | 0 | 1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
fenoxypropazine | [no description available] | medium | 1 | 0 | aromatic ether | |
aceclofenac | [no description available] | medium | 1 | 0 | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
doripenem | [no description available] | medium | 1 | 0 | carbapenems | |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
frovatriptan | [no description available] | medium | 1 | 0 | carbazoles | |
eletriptan | [no description available] | medium | 1 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
bexarotene | [no description available] | medium | 1 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
moexipril | [no description available] | medium | 1 | 0 | peptide | |
mci 9038 | [no description available] | medium | 1 | 0 | peptide | |
fulvestrant | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
tadalafil | [no description available] | medium | 1 | 0 | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
valdecoxib | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
almotriptan | [no description available] | medium | 1 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
desloratadine | [no description available] | medium | 15 | 0 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
desloratadine | [no description available] | medium | 15 | 4 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
desvenlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
tamsulosin | [no description available] | medium | 1 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
rufinamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
dexpanthenol | [no description available] | medium | 1 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
fosamprenavir | [no description available] | medium | 1 | 0 | sulfonamide | prodrug |
febuxostat | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
escitalopram | [no description available] | medium | 1 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
10-propargyl-10-deazaaminopterin | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
ertapenem | [no description available] | medium | 1 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
cox 189 | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
conivaptan | [no description available] | medium | 1 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
pralnacasan | [no description available] | medium | 1 | 0 | | |
clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
solifenacin | [no description available] | medium | 1 | 0 | isoquinolines | |
dexmethylphenidate | [no description available] | medium | 1 | 0 | methyl phenyl(piperidin-2-yl)acetate | adrenergic agent |
cinacalcet | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
lubiprostone | [no description available] | medium | 1 | 0 | | |
telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
anidulafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
varenicline | [no description available] | medium | 1 | 0 | | |
fiduxosin | [no description available] | medium | 1 | 0 | | |
erlotinib | [no description available] | medium | 1 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor |
dronedarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
ramelteon | [no description available] | medium | 1 | 0 | indanes | |
lapatinib | [no description available] | medium | 1 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
darunavir | [no description available] | medium | 1 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
tolvaptan | [no description available] | medium | 1 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
regadenoson | [no description available] | medium | 1 | 0 | purine nucleoside | |
lacosamide | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
vincaleukoblastine | [no description available] | medium | 1 | 0 | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite |
oxytocin | [no description available] | medium | 3 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
pentostatin | [no description available] | medium | 1 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
cefoxitin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
pancuronium | [no description available] | medium | 1 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
abacavir | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
miglitol | [no description available] | medium | 1 | 0 | piperidines | |
metyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
linezolid | [no description available] | medium | 2 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
clindamycin phosphate | [no description available] | medium | 1 | 0 | | |
eplerenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
octreotide | [no description available] | medium | 1 | 0 | | |
eptifibatide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
posaconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
arsenic trioxide | [no description available] | medium | 1 | 0 | arsenic oxide | antineoplastic agent; insecticide |
sr 90107 | [no description available] | medium | 1 | 0 | | |
meglumine iodipamide | [no description available] | medium | 1 | 0 | organoammonium salt | radioopaque medium |
thyrotropin-releasing hormone | [no description available] | medium | 1 | 0 | peptide hormone; tripeptide | human metabolite |
arginine vasopressin | [no description available] | medium | 3 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
s 1033 | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
pyrantel | [no description available] | medium | 1 | 0 | 1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes | antinematodal drug |
eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant; sedative |
succimer | [no description available] | medium | 1 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
cancidas | [no description available] | medium | 1 | 0 | | |
lincomycin | [no description available] | medium | 1 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
ranitidine | [no description available] | medium | 5 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
aplaviroc | [no description available] | medium | 1 | 0 | | |
maraviroc | [no description available] | medium | 1 | 0 | tropane alkaloid | |
nelarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
dermatan sulfate | [no description available] | medium | 1 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
dolasetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
fospropofol | [no description available] | medium | 1 | 0 | alkylbenzene | |
rasagiline | [no description available] | medium | 1 | 0 | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent |
sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
mivacurium | [no description available] | medium | 1 | 0 | isoquinolines | |
hemabate | [no description available] | medium | 1 | 0 | | |
paricalcitol | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
7432 s | [no description available] | medium | 1 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
epoprostenol | [no description available] | medium | 1 | 0 | prostaglandins I | mouse metabolite |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
ethamolin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
estropipate | [no description available] | medium | 1 | 0 | piperazinium salt; steroid sulfate | |
ly 163892 | [no description available] | medium | 1 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
nabilone | [no description available] | medium | 1 | 0 | | |
vitamin k 1 | [no description available] | medium | 1 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
trospium chloride | [no description available] | medium | 1 | 0 | | |
benzphetamine | [no description available] | medium | 1 | 0 | amphetamines; tertiary amine | adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent |
deamino arginine vasopressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
dexmedetomidine | [no description available] | medium | 2 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
goserelin | [no description available] | medium | 1 | 0 | organic molecular entity | |
nateglinide | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
silodosin | [no description available] | medium | 1 | 0 | indolecarboxamide | |
su 11248 | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
butorphanol | [no description available] | medium | 2 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
butorphanol | [no description available] | medium | 2 | 1 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
benazepril | [no description available] | medium | 1 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
verteporfin | [no description available] | medium | 1 | 0 | | |
trientine hydrochloride | [no description available] | medium | 1 | 0 | | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
cefuroxime | [no description available] | medium | 1 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
cefepime | [no description available] | medium | 1 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
pafuramidine | [no description available] | medium | 1 | 0 | | |
ceftazidime | [no description available] | medium | 1 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
pregabalin | [no description available] | medium | 2 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
alvimopan anhydrous | [no description available] | medium | 1 | 0 | peptide | |
aliskiren | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
cefpodoxime | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
palonosetron | [no description available] | medium | 1 | 0 | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
rifaximin | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative | antimicrobial agent; gastrointestinal drug; orphan drug |
everolimus | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
ceftizoxime | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
dantrolene | [no description available] | medium | 1 | 0 | | |
cefdinir | [no description available] | medium | 1 | 0 | cephalosporin; ketoxime | antibacterial drug |
etonogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin |
temsirolimus | [no description available] | medium | 1 | 0 | macrolide lactam | |
dutasteride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aza-steroid; delta-lactam | antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
bibx 1382bs | [no description available] | medium | 1 | 0 | substituted aniline | |
fesoterodine | [no description available] | medium | 1 | 0 | diarylmethane | |
gemifloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
dexlansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles; sulfoxide | |
armodafinil | [no description available] | medium | 1 | 0 | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
sincalide | [no description available] | medium | 2 | 0 | oligopeptide | |
tapentadol | [no description available] | medium | 1 | 0 | alkylbenzene | |
cefditoren | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
pazopanib | [no description available] | medium | 1 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
prasugrel hydrochloride | [no description available] | medium | 1 | 0 | | |
bms 477118 | [no description available] | medium | 1 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
nystatin a1 | [no description available] | medium | 1 | 0 | nystatins | |
bivalirudin | [no description available] | medium | 2 | 0 | polypeptide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
enfuvirtide | [no description available] | medium | 1 | 0 | | |
ganirelix | [no description available] | medium | 1 | 0 | polypeptide | |
teriparatide | [no description available] | medium | 1 | 0 | polypeptide | |
salmon calcitonin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone; polypeptide | bone density conservation agent; metabolite |
ly-146032 | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide | [no description available] | medium | 1 | 0 | polypeptide | |
exenatide | [no description available] | medium | 1 | 0 | | |
sodium lactate | [no description available] | medium | 1 | 0 | lactate salt; organic sodium salt | food acidity regulator; food preservative |
sodium iothalamate | [no description available] | medium | 1 | 0 | | |
cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
raltegravir | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor |
demeclocycline | [no description available] | medium | 1 | 0 | | |
tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
tigecycline | [no description available] | medium | 1 | 0 | | |
fertinex | [no description available] | medium | 1 | 0 | | |
valacyclovir | [no description available] | medium | 1 | 0 | L-valyl ester | antiviral drug |
vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
citrovorum factor | [no description available] | medium | 1 | 0 | tetrahydrofolic acid | |
rifapentine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-iminopiperazine; rifamycins | antitubercular agent; leprostatic drug |
bl 4162a | [no description available] | medium | 1 | 0 | imidazoquinazoline | anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor |
tegaserod | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
valganciclovir | [no description available] | medium | 1 | 0 | L-valyl ester; purines | antiviral drug; prodrug |
aprepitant | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
fosaprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles | antiemetic; neurokinin-1 receptor antagonist; prodrug |
levomefolate calcium | [no description available] | medium | 1 | 0 | organic calcium salt | antidepressant |
e-55888 | [no description available] | medium | 1 | 0 | | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 39 | 7 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
mdl 100907 | [no description available] | medium | 13 | 2 | | |
fumarates | [no description available] | medium | 2 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
phenmetrazine | [no description available] | medium | 1 | 0 | morpholines | metabolite; sympathomimetic agent |
okadaic acid | [no description available] | medium | 2 | 0 | ketal | |
chlorine | [no description available] | medium | 6 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
hydroxyindoleacetic acid | [no description available] | medium | 40 | 2 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
melatonin | [no description available] | medium | 16 | 1 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
phenyl acetate | [no description available] | medium | 6 | 1 | benzenes; phenyl acetates | |
carbazeran | [no description available] | medium | 1 | 0 | | |
3-hydroxydesloratadine | [no description available] | medium | 4 | 2 | | |
carbamates | [no description available] | medium | 3 | 0 | amino-acid anion | |
rocuronium | [no description available] | medium | 1 | 0 | 3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound | drug allergen; muscle relaxant; neuromuscular agent |
methylene blue | [no description available] | medium | 2 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
luteolin | [no description available] | medium | 3 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
substance p | [no description available] | medium | 11 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
erythrosine | [no description available] | medium | 1 | 0 | | |
osimertinib | [no description available] | medium | 1 | 0 | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
neuropeptide y | [no description available] | medium | 1 | 0 | | |
peptide yy | [no description available] | medium | 1 | 0 | | |
mometasone furoate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester | anti-allergic agent; anti-inflammatory drug |
trk 820 | [no description available] | medium | 1 | 0 | phenanthrenes | |
morphinans | [no description available] | medium | 1 | 0 | isoquinoline alkaloid fundamental parent; morphinane alkaloid | |
abiraterone | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor |
retapamulin | [no description available] | medium | 1 | 0 | carbotricyclic compound; carboxylic ester; cyclic ketone | |
piperidines | [no description available] | medium | 69 | 3 | | |
pyrroles | [no description available] | medium | 2 | 0 | pyrrole; secondary amine | |
am 251 | [no description available] | medium | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
4-iodo-2,5-dimethoxyphenylisopropylamine | [no description available] | medium | 3 | 0 | amphetamines; dimethoxybenzene; organoiodine compound | |
cp 93129 | [no description available] | medium | 1 | 0 | pyrrolopyridine | |
arachidonyl-2-chloroethylamide | [no description available] | medium | 1 | 0 | fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid | CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
sildenafil citrate | [no description available] | medium | 1 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
tramadol | [no description available] | medium | 1 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
olopatadine hydrochloride | [no description available] | medium | 2 | 0 | dibenzooxazepine | |
4-amino-3-phenylbutyric acid | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
hydrazine | [no description available] | medium | 17 | 2 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
anamorelin | [no description available] | medium | 1 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 6 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
fenclonine | [no description available] | medium | 86 | 1 | phenylalanine derivative | |
5-hydroxytryptophan | [no description available] | medium | 69 | 1 | hydroxytryptophan | human metabolite; neurotransmitter |
orabase | [no description available] | medium | 1 | 0 | | |
cellulose | [no description available] | medium | 2 | 0 | glycoside | |
hydrogen | [no description available] | medium | 2 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
stearic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
ginkgolide b | [no description available] | medium | 5 | 0 | | |
interleukin-8 | [no description available] | medium | 2 | 0 | | |
adenosine diphosphate | [no description available] | medium | 10 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
ciclesonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
ebastine | [no description available] | medium | 3 | 1 | organic molecular entity | |
azelastine | [no description available] | medium | 4 | 0 | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
azelastine | [no description available] | medium | 4 | 1 | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
fluticasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
bilastine | [no description available] | medium | 2 | 1 | benzimidazoles | |
venlafaxine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
cyclohexanol | [no description available] | medium | 3 | 0 | cyclohexanols; secondary alcohol | solvent |
levocetirizine | [no description available] | medium | 6 | 3 | diarylmethane | |
formic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
amitraz | [no description available] | medium | 1 | 0 | formamidines; tertiary amino compound | acaricide; environmental contaminant; insecticide; xenobiotic |
u 40481 | [no description available] | medium | 1 | 0 | benzenes; formamidines | marine xenobiotic metabolite |
vilazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; serotonergic agonist; serotonin uptake inhibitor |
bafilomycin a1 | [no description available] | medium | 1 | 0 | cyclic hemiketal; macrolide antibiotic; oxanes | apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin |
dantrolene | [no description available] | medium | 5 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
sr 140333 | [no description available] | medium | 1 | 0 | | |
quinuclidines | [no description available] | medium | 1 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
enclomiphene | [no description available] | medium | 1 | 0 | | |
ifenprodil | [no description available] | medium | 1 | 0 | piperidines | |
dimethindene | [no description available] | medium | 2 | 0 | indene | |
hyoscyamine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
web 2086 | [no description available] | medium | 2 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
cv 6209 | [no description available] | medium | 5 | 0 | | |
triazoles | [no description available] | medium | 8 | 0 | 1,2,3-triazole | |
4-butyrolactone | [no description available] | medium | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
lignans | [no description available] | medium | 1 | 0 | | |
cubebin | [no description available] | medium | 1 | 0 | benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol | analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug |
hinokinin | [no description available] | medium | 1 | 0 | benzodioxoles; gamma-lactone; lignan | trypanocidal drug |
soman | [no description available] | medium | 1 | 0 | phosphonic ester | |
buprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic |
buprenorphine, naloxone drug combination | [no description available] | medium | 1 | 0 | | |
maleic acid | [no description available] | medium | 2 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
dizocilpine maleate | [no description available] | medium | 3 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
clorgyline | [no description available] | medium | 3 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
methacrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
ethylene dimethacrylate | [no description available] | medium | 1 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
methylene chloride | [no description available] | medium | 2 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
pyrazines | [no description available] | medium | 7 | 0 | diazine; pyrazines | Daphnia magna metabolite |
cyclin d1 | [no description available] | medium | 2 | 0 | | |
methandrostenolone | [no description available] | medium | 3 | 1 | organic molecular entity | |
leptin | [no description available] | medium | 2 | 0 | | |
losartan potassium | [no description available] | medium | 1 | 0 | | |
rmi 12330a | [no description available] | medium | 1 | 0 | | |
benzylaniline | [no description available] | medium | 2 | 0 | | |
1-methyl-4-phenylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
capsazepine | [no description available] | medium | 1 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
hydrogen sulfide | [no description available] | medium | 1 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
sodium bisulfide | [no description available] | medium | 1 | 0 | | |
nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
n-methylaspartate | [no description available] | medium | 3 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
rifamycins | [no description available] | medium | 1 | 0 | | |
carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
sermorelin | [no description available] | medium | 1 | 0 | | |
alpha-methylserotonin | [no description available] | medium | 3 | 0 | tryptamines | serotonergic agonist |
nitroarginine | [no description available] | medium | 1 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
ovalbumin | [no description available] | medium | 4 | 0 | | |
arachidonyltrifluoromethane | [no description available] | medium | 1 | 0 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 1 | 0 | | |
arginyl-glycyl-aspartyl-serine | [no description available] | medium | 2 | 0 | | |
sc 41930 | [no description available] | medium | 1 | 0 | | |
sq 29548 | [no description available] | medium | 3 | 0 | | |
pyrazolone | [no description available] | medium | 1 | 0 | | |
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 |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 24 | 2 | aromatic ether; secondary amino compound | metabolite |
eucalyptol | [no description available] | medium | 1 | 0 | | |
n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
mefloquine | [no description available] | medium | 2 | 0 | | |
indophenol | [no description available] | medium | 1 | 0 | quinone imine | dye |
bradykinin | [no description available] | medium | 24 | 1 | oligopeptide | human blood serum metabolite; vasodilator agent |
icatibant | [no description available] | medium | 1 | 0 | | |
bradykinin, leu(8)-des-arg(9)- | [no description available] | medium | 1 | 0 | | |
ah 1058 | [no description available] | medium | 1 | 0 | | |
thioperamide | [no description available] | medium | 3 | 0 | primary aliphatic amine | |
decursin | [no description available] | medium | 1 | 0 | coumarins | |
theobromine | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
3,7-dimethyl-1-propargylxanthine | [no description available] | medium | 1 | 0 | | |
1,3-dipropyl-8-(2-amino-4-chlorophenyl)xanthine | [no description available] | medium | 1 | 0 | | |
pirenzepine | [no description available] | medium | 2 | 1 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
methdilazine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; phenothiazines | antipruritic drug; cholinergic antagonist; histamine antagonist |
dihydroergotoxine | [no description available] | medium | 2 | 0 | | |
dihydroxyphenylalanine | [no description available] | medium | 11 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
sodium salicylate | [no description available] | medium | 4 | 0 | organic molecular entity | |
phenothiazine | [no description available] | medium | 4 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
furaldehyde | [no description available] | medium | 1 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
oxomemazine | [no description available] | medium | 1 | 0 | phenothiazines | |
methotrimeprazine | [no description available] | high | 2 | 0 | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
indoleacetic acid | [no description available] | medium | 3 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
paramethasone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
methoxamine | [no description available] | medium | 5 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
aluminum | [no description available] | medium | 1 | 0 | boron group element atom; elemental aluminium; metal atom | |
pentylenetetrazole | [no description available] | medium | 5 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
dibenzheptropine | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
chloralose | [no description available] | medium | 1 | 0 | | |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
tranylcypromine | [no description available] | medium | 5 | 0 | 2-phenylcyclopropan-1-amine | |
vitamin k semiquinone radical | [no description available] | medium | 3 | 0 | | |
stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
arachidonic acid | [no description available] | medium | 4 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
u 73122 | [no description available] | medium | 2 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
sb 242084 | [no description available] | medium | 1 | 0 | | |
alpha-aminopyridine | [no description available] | medium | 3 | 0 | | |
2-diphenylmethylpiperidine | [no description available] | medium | 2 | 0 | | |
trilostane | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile | abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
sorbic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
bw-755c | [no description available] | medium | 4 | 0 | | |
limaprost | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
beta-amyrin | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid; secondary alcohol | Aspergillus metabolite; plant metabolite |
fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
ergoline | [no description available] | medium | 30 | 4 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 1 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester; oxazolidinone | metabolite |
fluocinolone acetonide | [no description available] | medium | 2 | 1 | 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 |
flunisolide | [no description available] | medium | 1 | 1 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
n-methyl-3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | amphetamines; benzodioxoles | neurotoxin |
4-methoxymethamphetamine | [no description available] | medium | 1 | 0 | | |
atropine sulfate-diphenoxylate hydrochloride drug combination | [no description available] | medium | 1 | 0 | | |
nitrates | [no description available] | medium | 3 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | [no description available] | medium | 1 | 0 | | |
D-fructopyranose | [no description available] | medium | 2 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
bw a868c | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
prostaglandin d2 | [no description available] | medium | 3 | 2 | prostaglandins D | human metabolite; mouse metabolite |
ramatroban | [no description available] | medium | 1 | 0 | organic molecular entity | |
hydantoins | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
picryl chloride | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
glycogen | [no description available] | medium | 1 | 0 | | |
bradyzide | [no description available] | medium | 1 | 0 | | |
sarpogrelate | [no description available] | medium | 1 | 0 | hemisuccinate; stilbenoid | |
sb 206553 | [no description available] | medium | 1 | 0 | pyrroloindole | |
calcimycin | [no description available] | medium | 6 | 0 | benzoxazole | |
hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester; cortisol ester; primary alpha-hydroxy ketone | dermatologic drug; drug allergen |
alpha-chymotrypsin | [no description available] | medium | 3 | 0 | | |
isoflurophate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | |
kaolinite | [no description available] | medium | 1 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
pituitrin | [no description available] | medium | 6 | 1 | | |
methoxyhydroxyphenylglycol | [no description available] | medium | 5 | 0 | methoxybenzenes; phenols | |
cyclic gmp | [no description available] | medium | 3 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
chlorphenamidine | [no description available] | medium | 3 | 0 | | |
beta-endorphin | [no description available] | medium | 12 | 0 | | |
lypressin | [no description available] | medium | 6 | 0 | cyclic peptide | |
quipazine | [no description available] | medium | 30 | 0 | piperazines; pyridines | |
lithium | [no description available] | medium | 10 | 1 | alkali metal atom | |
neurotensin, trp(11)- | [no description available] | medium | 1 | 0 | | |
neurotensin | [no description available] | medium | 2 | 0 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
6-chloro-2-(1-piperazinyl)pyrazine | [no description available] | medium | 2 | 0 | N-arylpiperazine | |
metiamide | [no description available] | medium | 3 | 0 | imidazoles | |
enkephalin, methionine | [no description available] | medium | 2 | 0 | | |
d-ala(2),mephe(4),met(0)-ol-enkephalin | [no description available] | medium | 1 | 0 | | |
pirenperone | [no description available] | medium | 4 | 0 | aromatic ketone | |
4-chlorophenethylamine | [no description available] | medium | 1 | 0 | | |
quifenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
diazoline | [no description available] | medium | 1 | 0 | polymer | |
2-phenylpyrazolo(4,3-c)quinolin-3(5h)-one | [no description available] | medium | 1 | 0 | | |
phencyclidine | [no description available] | medium | 5 | 1 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
picrotoxin | [no description available] | medium | 7 | 0 | | |
pholedrine | [no description available] | medium | 1 | 0 | amphetamines | |
tiaramide | [no description available] | medium | 1 | 0 | benzothiazoles | |
doxantrazole | [no description available] | medium | 2 | 0 | | |
proxicromil | [no description available] | medium | 1 | 0 | | |
barium | [no description available] | medium | 4 | 0 | alkaline earth metal atom; elemental barium | |
barium chloride | [no description available] | medium | 2 | 0 | barium salt; inorganic chloride | potassium channel blocker |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 1 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
lithium carbonate | [no description available] | medium | 3 | 0 | carbonate salt; lithium salt | antimanic drug |
cinanserin | [no description available] | medium | 30 | 0 | aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound | anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
fenfluramine | [no description available] | medium | 35 | 1 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
pargyline | [no description available] | medium | 14 | 0 | aromatic amine | |
myelin basic protein | [no description available] | medium | 2 | 0 | | |
glucagon | [no description available] | medium | 18 | 0 | peptide hormone | |
5,7-dihydroxytryptamine | [no description available] | medium | 14 | 0 | | |
3-hydroxybenzylhydrazine | [no description available] | medium | 1 | 0 | phenols | |
thiophenes | [no description available] | medium | 23 | 6 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
carbidopa | [no description available] | medium | 8 | 1 | | |
benserazide | [no description available] | medium | 8 | 0 | carbohydrazide; catechols; primary alcohol; primary amino compound | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
alanine | [no description available] | medium | 1 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
enkephalin, leucine | [no description available] | medium | 7 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
bucladesine | [no description available] | medium | 5 | 0 | 3',5'-cyclic purine nucleotide | |
5,6-dihydroxytryptamine | [no description available] | medium | 5 | 0 | | |
ether | [no description available] | medium | 1 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
dibutyryl cyclic gmp | [no description available] | medium | 1 | 0 | | |
tetrodotoxin | [no description available] | medium | 6 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
potassium chloride | [no description available] | medium | 8 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
veratridine | [no description available] | medium | 2 | 0 | | |
desmethylcyproheptadine | [no description available] | medium | 8 | 0 | | |
demethylchlordimeform | [no description available] | medium | 1 | 0 | | |
angiotensin iii | [no description available] | medium | 1 | 0 | | |
angiotensin ii | [no description available] | medium | 11 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
saralasin | [no description available] | medium | 1 | 0 | oligopeptide | |
norfenfluramine | [no description available] | medium | 2 | 1 | amphetamines | |
beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 2 | 0 | beta-carbolines | |
methacholine chloride | [no description available] | medium | 2 | 1 | quaternary ammonium salt | |
menotropins | [no description available] | medium | 1 | 0 | | |
bis(4-methyl-1-homopiperazinylthiocarbonyl)disulfide | [no description available] | medium | 2 | 0 | | |
bellergal | [no description available] | medium | 1 | 0 | | |
guanosine triphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
guanylyl imidodiphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
tyrosine | [no description available] | medium | 2 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
flupenthixol | [no description available] | medium | 4 | 0 | thioxanthenes | |
bw 501c | [no description available] | medium | 2 | 0 | | |
5-hydroxykynuramine | [no description available] | medium | 1 | 0 | hydroxykynurenamine; primary amino compound | mouse metabolite |
kynuramine | [no description available] | medium | 1 | 0 | kynurenamines; primary amino compound | metabolite |
clenbuterol | [no description available] | medium | 1 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
carbenoxolone sodium | [no description available] | medium | 1 | 1 | triterpenoid | |
methochlorpromazine | [no description available] | medium | 1 | 0 | | |
phosphorus | [no description available] | medium | 1 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
diethylcarbamazine | [no description available] | medium | 10 | 2 | N-carbamoylpiperazine; N-methylpiperazine | |
cholecystokinin | [no description available] | medium | 2 | 0 | | |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
vasotocin | [no description available] | medium | 1 | 0 | | |
ergonovine | [no description available] | medium | 4 | 0 | ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound | diagnostic agent; fungal metabolite; oxytocic; toxin |
gastrins | [no description available] | medium | 4 | 0 | | |
choline | [no description available] | medium | 3 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
cholestyramine resin | [no description available] | medium | 2 | 0 | | |
salicylates | [no description available] | medium | 4 | 0 | monohydroxybenzoate | plant metabolite |
oxalates | [no description available] | medium | 1 | 0 | | |
leucine | [no description available] | medium | 8 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
cannabinol | [no description available] | medium | 1 | 0 | dibenzopyran | |
nantradol | [no description available] | medium | 1 | 0 | | |
benzohexonium | [no description available] | medium | 2 | 0 | | |
tipindole | [no description available] | medium | 2 | 0 | | |
piribedil | [no description available] | medium | 2 | 0 | N-arylpiperazine | |
proglumide | [no description available] | medium | 2 | 0 | benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate | anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite |
dynorphins | [no description available] | medium | 4 | 0 | | |
hexamethonium | [no description available] | medium | 5 | 0 | quaternary ammonium salt | |
loxtidine | [no description available] | medium | 1 | 0 | aromatic ether; piperidines; primary alcohol; triazoles | H2-receptor antagonist |
n,n-diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine | [no description available] | medium | 2 | 0 | | |
enkephalin, ser(2), leu(5), thr(6)- | [no description available] | medium | 3 | 0 | oligopeptide | |
mezlocillin | [no description available] | medium | 1 | 0 | indolamine | |
rimorphin | [no description available] | medium | 2 | 0 | | |
malondialdehyde | [no description available] | medium | 4 | 0 | dialdehyde | biomarker |
thromboxane b2 | [no description available] | medium | 2 | 0 | thromboxanes B | human metabolite; mouse metabolite |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 2 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
brofaromine | [no description available] | medium | 1 | 0 | | |
kainic acid | [no description available] | medium | 4 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
beta-escin | [no description available] | medium | 1 | 0 | | |
ginsenoside rg2 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anticoagulant; cardioprotective agent; plant metabolite |
ginsenosides | [no description available] | medium | 1 | 0 | | |
flavone acetic acid | [no description available] | medium | 1 | 0 | | |
vadimezan | [no description available] | medium | 3 | 0 | monocarboxylic acid; xanthones | antineoplastic agent |
xanthenes | [no description available] | medium | 3 | 0 | xanthene | |
glycosides | [no description available] | medium | 1 | 0 | | |
thiamylal | [no description available] | medium | 1 | 0 | barbiturates; organosulfur compound | sedative |
quisqualic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
arginine aspartate | [no description available] | medium | 1 | 1 | | |
aspartic acid | [no description available] | medium | 1 | 1 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
ornithine | [no description available] | medium | 1 | 1 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
ro 11-2933 | [no description available] | medium | 1 | 0 | | |
diminazene aceturate | [no description available] | medium | 1 | 0 | N-acetylglycinate salt | antiparasitic agent; trypanocidal drug |
diminazene | [no description available] | medium | 1 | 0 | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
melarsoprol | [no description available] | medium | 1 | 0 | triazines | |
phenidone | [no description available] | medium | 3 | 0 | | |
leukotriene e4 | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; L-cysteine thioether; leukotriene; non-proteinogenic L-alpha-amino acid; secondary alcohol | |
idazoxan | [no description available] | medium | 1 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
racemetirosine | [no description available] | medium | 1 | 0 | | |
u-50488 | [no description available] | medium | 3 | 0 | dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine | analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist |
leukotriene d4 | [no description available] | medium | 1 | 0 | dipeptide; leukotriene; organic sulfide | bronchoconstrictor agent; human metabolite; mouse metabolite |
fpl 55712 | [no description available] | medium | 2 | 0 | aromatic ketone | |
enkephalinamide-met, ala(2)- | [no description available] | medium | 1 | 0 | | |
hirudin | [no description available] | medium | 2 | 0 | | |
silicon phthalocyanine pc4 | [no description available] | medium | 1 | 0 | | |
setoperone | [no description available] | medium | 1 | 0 | | |
pyrimidinones | [no description available] | medium | 1 | 0 | | |
deoxynivalenol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol | mycotoxin |
tubocurarine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
quinazolines | [no description available] | medium | 2 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
bw a522 | [no description available] | medium | 1 | 0 | | |
cgs 15943 | [no description available] | medium | 1 | 0 | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant |
sk&f-38393 | [no description available] | medium | 3 | 0 | benzazepine; catechols; secondary amino compound | |
1h-3-benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl- | [no description available] | medium | 2 | 0 | benzazepine | |
pindobind | [no description available] | medium | 1 | 0 | | |
ethionine | [no description available] | medium | 1 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
concanavalin a | [no description available] | medium | 2 | 0 | | |
moclobemide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
enkephalin, ala(2)-mephe(4)-gly(5)- | [no description available] | medium | 1 | 0 | | |
hexarelin | [no description available] | medium | 1 | 0 | | |
hsr 609 | [no description available] | medium | 1 | 0 | | |
anisodamine | [no description available] | medium | 3 | 0 | | |
phosphocreatine | [no description available] | medium | 1 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
enkephalin, d-penicillamine (2,5)- | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | delta-opioid receptor agonist |
renzapride | [no description available] | medium | 1 | 0 | | |
sdz 205-557 | [no description available] | medium | 1 | 0 | methoxybenzoic acid | |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
tetralin | [no description available] | medium | 1 | 0 | ortho-fused bicyclic hydrocarbon; tetralins | |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 1 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
egtazic acid | [no description available] | medium | 2 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
foropafant | [no description available] | medium | 1 | 0 | | |
thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
halofantrine | [no description available] | medium | 1 | 0 | phenanthrenes | |
phenanthrenes | [no description available] | medium | 1 | 0 | | |
rhodamine 123 | [no description available] | medium | 1 | 0 | organic cation; xanthene dye | fluorochrome |
wortmannin | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
chelerythrine | [no description available] | medium | 1 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
genistein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine | [no description available] | medium | 1 | 0 | | |
masticadienonic acid | [no description available] | medium | 1 | 0 | triterpenoid | |
morolic acid | [no description available] | medium | 1 | 0 | | |
tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
leukotriene b4 | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
masticadienolic acid | [no description available] | medium | 1 | 0 | | |
adrenochrome | [no description available] | medium | 1 | 0 | indoles | |
p-chloroamphetamine | [no description available] | medium | 9 | 0 | | |
dimethylhydrazines | [no description available] | medium | 2 | 0 | | |
butaclamol | [no description available] | medium | 1 | 0 | | |
glutamic acid diethyl ester | [no description available] | medium | 1 | 0 | | |
xenon radioisotopes | [no description available] | medium | 1 | 0 | | |
alloxan | [no description available] | medium | 2 | 0 | pyrimidone | hyperglycemic agent; metabolite |
furazolidone | [no description available] | medium | 1 | 0 | nitrofuran antibiotic; oxazolidines | antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor |
bencyclane | [no description available] | medium | 1 | 0 | benzenes | |
cortodoxone | [no description available] | medium | 1 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
cortisone | [no description available] | medium | 6 | 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 |
17-ketosteroids | [no description available] | medium | 1 | 0 | | |
deoxyepinephrine | [no description available] | medium | 1 | 0 | catecholamine | |
halofenate | [no description available] | medium | 1 | 0 | | |
deoxyglucose | [no description available] | medium | 1 | 0 | | |
mannoheptulose | [no description available] | medium | 3 | 0 | D-manno-heptulose | |
oxyfedrine | [no description available] | medium | 1 | 0 | aromatic ketone | |
puromycin aminonucleoside | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside; adenosines | |
puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
adosterol | [no description available] | medium | 1 | 0 | | |
spermidine | [no description available] | medium | 1 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
deanol | [no description available] | medium | 1 | 0 | ethanolamines; tertiary amine | curing agent; radical scavenger |
3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | benzodioxoles | |
mmda | [no description available] | medium | 1 | 0 | | |
metanephrine | [no description available] | medium | 1 | 0 | catecholamine | |
normetanephrine | [no description available] | medium | 2 | 0 | catecholamine | |
vasoactive intestinal peptide | [no description available] | medium | 1 | 0 | | |
dibenzylchlorethamine | [no description available] | medium | 9 | 0 | | |
dita | [no description available] | medium | 1 | 0 | | |
dimethoxyphenylethylamine | [no description available] | medium | 2 | 0 | alkaloid; aromatic ether; phenylethylamine | allergen; plant metabolite |
kallidin | [no description available] | medium | 1 | 0 | peptide | |
lynestrenol | [no description available] | medium | 1 | 0 | steroid | |
tolazoline | [no description available] | medium | 4 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
iodine | [no description available] | medium | 2 | 0 | diatomic iodine | nutrient |
vasopressin, 9-des-gly-nh(2)-lys- | [no description available] | medium | 1 | 0 | | |
methyl iodide | [no description available] | medium | 1 | 0 | iodomethanes; methyl halides | fumigant insecticide |
3-n-methylspiperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
beta-funaltrexamine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
binaltorphimine | [no description available] | medium | 1 | 0 | | |
9-(tetrahydro-2-furyl)-adenine | [no description available] | medium | 1 | 0 | | |
fonazine | [no description available] | medium | 1 | 0 | phenothiazines | |
oxetorone | [no description available] | medium | 1 | 0 | oxacycle | |
bemesetron | [no description available] | medium | 3 | 0 | | |
2-methyl-5-ht | [no description available] | medium | 1 | 0 | tryptamines | serotonergic agonist |
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
c-peptide | [no description available] | medium | 1 | 0 | | |
6-(5-methylimidazol-1-yl)methyl-2-naphthoic acid hydrochloride | [no description available] | medium | 1 | 0 | | |
bepafant | [no description available] | medium | 1 | 0 | | |
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | [no description available] | medium | 1 | 1 | 21-hydroxy steroid | |
4-chlorophenylalanine methyl ester | [no description available] | medium | 2 | 0 | | |
brimonidine tartrate | [no description available] | medium | 1 | 0 | | |
quinoxalines | [no description available] | medium | 1 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
tiotidine | [no description available] | medium | 1 | 0 | thiazoles | |
allyl cyanide | [no description available] | medium | 1 | 0 | aliphatic nitrile; olefinic compound | antifeedant; neurotoxin; plant metabolite |
2-pentenenitrile | [no description available] | medium | 1 | 0 | | |
crotononitrile | [no description available] | medium | 1 | 0 | nitrile | |
tipepidine | [no description available] | medium | 1 | 0 | piperidines | |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
3-tyr-octreotide | [no description available] | medium | 1 | 0 | | |
bromerguride | [no description available] | medium | 1 | 0 | | |
acrivastine | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
acrivastine | [no description available] | medium | 2 | 1 | alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
clobetasol | [no description available] | medium | 1 | 1 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
dothiepin hydrochloride | [no description available] | medium | 1 | 1 | dothiepin | |
pentazocine | [no description available] | medium | 2 | 0 | benzazocine | |
thromboxane a2 | [no description available] | medium | 1 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt; salicylates | |
urethane | [no description available] | medium | 2 | 0 | carbamate ester | fungal metabolite; mutagen |
cv 3988 | [no description available] | medium | 1 | 0 | | |
bw 540c | [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 |
arabinogalactan | [no description available] | medium | 1 | 0 | | |
2-octopamine | [no description available] | medium | 1 | 0 | | |
mequitazine | [no description available] | medium | 2 | 1 | phenothiazines | |
pipethiaden | [no description available] | medium | 2 | 0 | | |
alpha-neoendorphin | [no description available] | medium | 1 | 0 | | |
alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
histidine | [no description available] | medium | 1 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
phenylpiperazine | [no description available] | medium | 1 | 0 | | |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
cl 218872 | [no description available] | medium | 1 | 0 | pyridazines; ring assembly | |
dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
9,10-dihydroergosine | [no description available] | medium | 1 | 0 | | |
gaboxadol | [no description available] | medium | 1 | 0 | oxazole | |
isoxazoles | [no description available] | medium | 1 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
lithium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
cosyntropin | [no description available] | medium | 1 | 0 | | |
carbidopa, levodopa drug combination | [no description available] | medium | 1 | 0 | | |
nsd 1034 | [no description available] | medium | 1 | 0 | | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 1 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
n-benzyl-n,n-dimethylamine | [no description available] | medium | 1 | 0 | | |
iron tetraphenylporphyrin | [no description available] | medium | 1 | 0 | | |
etoprine | [no description available] | medium | 1 | 0 | | |
isoquinoline | [no description available] | medium | 1 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
quinpirole | [no description available] | medium | 1 | 0 | pyrazoloquinoline | dopamine agonist |
bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
peptide phi | [no description available] | medium | 1 | 0 | | |
fibrin | [no description available] | medium | 1 | 0 | peptide | |
fibrinogen | [no description available] | medium | 4 | 0 | iditol | fungal metabolite |
fpl-52694 | [no description available] | medium | 1 | 0 | | |
4-(5,6-dimethyl-2-benzofuranyl)piperidine | [no description available] | medium | 1 | 0 | | |
toluene | [no description available] | medium | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
oxyphenonium | [no description available] | medium | 2 | 0 | acylcholine | |
kynurenine | [no description available] | medium | 1 | 0 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
nadp | [no description available] | medium | 1 | 0 | | |
chlorine | [no description available] | medium | 4 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
bromine | [no description available] | medium | 3 | 0 | diatomic bromine | |
acid phosphatase | [no description available] | medium | 1 | 0 | | |
cobalt | [no description available] | medium | 1 | 0 | cobalt group element atom; metal allergen | micronutrient |
nitrites | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
scandium | [no description available] | medium | 1 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
lead | [no description available] | medium | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
phlorhizin | [no description available] | medium | 1 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
mercury | [no description available] | medium | 1 | 0 | elemental mercury; zinc group element atom | neurotoxin |
tremorine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine | |
hydrochloric acid | [no description available] | medium | 1 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
eledoisin | [no description available] | medium | 1 | 0 | peptide | |
glycopyrrolate | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | |
camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
rutin | [no description available] | medium | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
neodymium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
hyaluronoglucosaminidase | [no description available] | medium | 1 | 0 | | |
strontium | [no description available] | medium | 1 | 0 | alkaline earth metal atom | |
psilocybin | [no description available] | medium | 2 | 0 | organic phosphate; tertiary amino compound; tryptamine alkaloid | fungal metabolite; hallucinogen; prodrug; serotonergic agonist |
xenon | [no description available] | medium | 1 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
methylcellulose | [no description available] | medium | 1 | 0 | | |
biguanides | [no description available] | medium | 1 | 0 | guanidines | |
uric acid | [no description available] | medium | 1 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
levallorphan | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
dextromoramide | [no description available] | medium | 1 | 0 | morpholines; N-acylpyrrolidine | opioid analgesic |
chlorisondamine | [no description available] | medium | 1 | 0 | isoindoles | |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
chlorphentermine | [no description available] | medium | 1 | 0 | amphetamines | |
agar | [no description available] | medium | 1 | 0 | | |
fluorine | [no description available] | medium | 1 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
hydrogen carbonate | [no description available] | medium | 1 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pentolinium tartrate | [no description available] | medium | 1 | 0 | tartrate salt | antihypertensive agent |
isomethyleugenol | [no description available] | medium | 2 | 0 | isomethyleugenol | |
phenylephrine hydrochloride | [no description available] | medium | 4 | 3 | hydrochloride | |
fomesafen | [no description available] | medium | 25 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
eye | [no description available] | medium | 4 | 1 | | |
trolamine salicylate | [no description available] | medium | 3 | 0 | | |
s,n,n'-tripropylthiocarbamate | [no description available] | medium | 2 | 0 | tertiary amine | |
jaw | [no description available] | medium | 1 | 0 | indolecarboxamide | |
4-methoxyamphetamine | [no description available] | medium | 1 | 0 | | |
benzquinamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide | antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative |
bromodiphenhydramine | [no description available] | low | 0 | 0 | organobromine compound; tertiary amino compound | antimicrobial agent; H1-receptor antagonist; muscarinic antagonist |
emedastine | [no description available] | low | 0 | 0 | benzimidazoles | anti-allergic agent; antipruritic drug; H1-receptor antagonist |
methapyrilene | [no description available] | low | 0 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
promethazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
methapyrilene hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
orphenadrine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
clopenthixol | [no description available] | low | 0 | 0 | N-alkylpiperazine; primary alcohol; thioxanthenes | alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
azelastine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
trazodone hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
diphenylpyraline hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | cholinergic antagonist; H1-receptor antagonist |
orphenadrine citrate | [no description available] | low | 0 | 0 | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
clemizolpenicillin | [no description available] | low | 0 | 0 | clemizole(1+) salt | H1-receptor antagonist |
tau 284 | [no description available] | low | 0 | 0 | organosulfonate salt | anti-allergic agent; H1-receptor antagonist |
clemastine fumarate | [no description available] | low | 0 | 0 | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
ketotifen fumarate | [no description available] | low | 0 | 0 | organoammonium salt | anti-asthmatic drug; H1-receptor antagonist |
carbinoxamine maleate | [no description available] | low | 0 | 0 | maleate salt | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
zuclopenthixol | [no description available] | low | 0 | 0 | clopenthixol | alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
triprolidine hydrochloride anhydrous | [no description available] | low | 0 | 0 | hydrochloride | H1-receptor antagonist |
cyclizine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist |
dexbrompheniramine maleate | [no description available] | low | 0 | 0 | brompheniramine maleate | anti-allergic agent; H1-receptor antagonist |
demethylmirtazapine | [no description available] | low | 0 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; human xenobiotic metabolite; serotonergic antagonist |
alcaftadine | [no description available] | medium | 0 | 0 | aldehyde; imidazobenzazepine; piperidines; tertiary amino compound | anti-allergic agent; H1-receptor antagonist |
(S)-carbinoxamine maleate | [no description available] | low | 0 | 0 | carbinoxamine maleate | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
aripiprazole lauroxil | [no description available] | low | 0 | 0 | aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone | H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist |
propiomazine | [no description available] | low | 0 | 0 | aromatic ketone; phenothiazines; tertiary amino compound | dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist |
setiptiline | [no description available] | low | 0 | 0 | tertiary amino compound; tetracyclic antidepressant | alpha-adrenergic antagonist; serotonergic antagonist |
thiethylperazine | [no description available] | low | 0 | 0 | N-methylpiperazine; phenothiazines | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
dotarizine | [no description available] | low | 0 | 0 | cyclic ketal; dioxolane; N-alkylpiperazine | calcium channel blocker; serotonergic antagonist; vasodilator agent |
alosetron hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antiemetic; serotonergic antagonist |
tramadol hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
spiramide | [no description available] | medium | 0 | 0 | aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; serotonergic antagonist |
clomipramine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
amperozide | [no description available] | low | 0 | 0 | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
amperozide hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine | [no description available] | low | 0 | 0 | hydrobromide | serotonergic antagonist |
gr 113808 | [no description available] | medium | 0 | 0 | indolyl carboxylate ester; piperidines; sulfonamide | serotonergic antagonist |
fk 1052 | [no description available] | low | 0 | 0 | imidazoles; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
lurasidone | [no description available] | low | 0 | 0 | 1,2-benzisothiazole; bridged compound; dicarboximide; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | [no description available] | low | 0 | 0 | 1,2-thiazoles; indoles; ureas | receptor modulator; serotonergic antagonist |
sb-224289 | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound | serotonergic antagonist |
brl 15572 | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist |
LY-310762 | [no description available] | medium | 0 | 0 | aromatic ketone; monofluorobenzenes; oxindoles; piperidines; tertiary amino compound | receptor modulator; serotonergic antagonist |
ly 367265 | [no description available] | low | 0 | 0 | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor |
flibanserin | [no description available] | low | 0 | 0 | benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound | antidepressant; serotonergic agonist; serotonergic antagonist |
rs 25259-197 | [no description available] | low | 0 | 0 | hydrochloride | antiemetic; serotonergic antagonist |
vortioxetine | [no description available] | low | 0 | 0 | aryl sulfide; N-arylpiperazine | antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist |
pimavanserin | [no description available] | medium | 0 | 0 | aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas | 5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist |
lurasidone hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic antagonist; dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
GR 127935 hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | serotonergic antagonist |
pipamperone dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
brl 15572 | [no description available] | low | 0 | 0 | hydrochloride | prodrug; serotonergic antagonist |
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one | [no description available] | low | 0 | 0 | hydrochloride | receptor modulator; serotonergic antagonist |
rs 39604 | [no description available] | low | 0 | 0 | hydrochloride | serotonergic antagonist |
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid | antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist |
crotamiton | [no description available] | low | 0 | 0 | enamide; tertiary carboxamide | antipruritic drug; scabicide |
ethyl chloride | [no description available] | low | 0 | 0 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
diflorasone diacetate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid | anti-inflammatory drug; antipruritic drug |
flumethasone pivalate | [no description available] | low | 0 | 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 |
quercetin 3-o-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
clocortolone pivalate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; pivalate ester | anti-inflammatory drug; antipruritic drug |
desoximetasone | [no description available] | low | 0 | 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 |
amlexanox | [no description available] | low | 0 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
scoparone | [no description available] | low | 0 | 0 | aromatic ether; coumarins | anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite |
nedocromil | [no description available] | low | 0 | 0 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
hydrangenol | [no description available] | low | 0 | 0 | dihydroisocoumarins; phenols | anti-allergic agent; plant metabolite |
glycyrrhetyl 3-monoglucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; enone; monosaccharide derivative; oxo dicarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin | anti-allergic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human xenobiotic metabolite; plant metabolite; sweetening agent |
secoxyloganin | [no description available] | low | 0 | 0 | beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside | anti-allergic agent; antioxidant; plant metabolite |
davidigenin | [no description available] | low | 0 | 0 | dihydrochalcones; polyphenol | anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite |
fluticasone propionate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester | adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug |
rhapontin | [no description available] | low | 0 | 0 | rhaponticin | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite |
naringenin chalcone | [no description available] | low | 0 | 0 | chalcones; polyphenol | anti-allergic agent; anti-inflammatory agent; metabolite |
brompheniramine maleate | [no description available] | low | 0 | 0 | maleate salt | anti-allergic agent |
petasin | [no description available] | low | 0 | 0 | alicyclic ketone; enoate ester; enone; sesquiterpenoid | anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent |
myricitrin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
rottlerin | [no description available] | low | 0 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
sappanchalcone | [no description available] | low | 0 | 0 | catechols; chalcones; monomethoxybenzene | anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite |
jaceosidin | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite |
5,4'-dihydroxy-7,3'-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite |
rhodiocyanoside a | [no description available] | low | 0 | 0 | aliphatic nitrile; beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative | anti-allergic agent; metabolite |
capsiate | [no description available] | low | 0 | 0 | carboxylic ester; monomethoxybenzene; phenols | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite |
ginsenoside m1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite |
fluticasone furoate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester | anti-allergic agent; anti-asthmatic drug; prodrug |
abt-737 | [no description available] | low | 0 | 0 | aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
tixocortol pivalate | [no description available] | low | 0 | 0 | corticosteroid; pivalate ester; tertiary alpha-hydroxy ketone; thioester | allergen; anti-allergic agent; glucocorticoid receptor agonist |
betazole | [no description available] | low | 0 | 0 | primary amino compound; pyrazoles | diagnostic agent; gastrointestinal drug; histamine agonist |
alpha-methylene gamma-butyrolactone | [no description available] | low | 0 | 0 | butan-4-olide | anti-ulcer drug; gastrointestinal drug |
aurapten | [no description available] | low | 0 | 0 | coumarins; monoterpenoid | antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary |
sofalcone | [no description available] | low | 0 | 0 | aromatic ether; chalcones; monocarboxylic acid | anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite |
16,16-dimethylprostaglandin e2 | [no description available] | low | 0 | 0 | cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol | anti-ulcer drug; gastrointestinal drug; radiation protective agent |
eluxadoline | [no description available] | low | 0 | 0 | amino acid amide; benzamides; imidazoles; L-phenylalanine derivative; methoxybenzoic acid | delta-opioid receptor antagonist; gastrointestinal drug; kappa-opioid receptor agonist; mu-opioid receptor agonist |
ceruletide | [no description available] | low | 0 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
ceruletide diethylamine | [no description available] | low | 0 | 0 | organoammonium salt | diagnostic agent; gastrointestinal drug |
cycrimine | [no description available] | low | 0 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
dyclonine | [no description available] | low | 0 | 0 | aromatic ketone; piperidines | topical anaesthetic |
eperisone | [no description available] | low | 0 | 0 | aromatic ketone; piperidines | |
ethyl piperidinoacetylaminobenzoate | [no description available] | low | 0 | 0 | benzoate ester; piperidines | |
mazaticol | [no description available] | low | 0 | 0 | piperidines | |
mefloquine hydrochloride | [no description available] | low | 0 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
methixene | [no description available] | low | 0 | 0 | piperidines; thioxanthenes | antiparkinson drug; histamine antagonist; muscarinic antagonist |
sb 220025 | [no description available] | low | 0 | 0 | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
vesamicol | [no description available] | low | 0 | 0 | piperidines | |
diphemanil methylsulfate | [no description available] | low | 0 | 0 | piperidines; quaternary ammonium salt | bronchodilator agent; muscarinic antagonist; parasympatholytic |
pempidine | [no description available] | low | 0 | 0 | piperidines | |
2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester | [no description available] | low | 0 | 0 | piperidines | |
2-methylpiperidine | [no description available] | low | 0 | 0 | piperidines | |
piperidine | [no description available] | low | 0 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
jervine | [no description available] | low | 0 | 0 | piperidines | |
phenoperidine | [no description available] | low | 0 | 0 | piperidines | |
piminodine | [no description available] | low | 0 | 0 | piperidines | |
dexetimide | [no description available] | low | 0 | 0 | piperidines | |
4-(4-chlorophenyl)-4-hydroxypiperidine | [no description available] | low | 0 | 0 | piperidines | |
levocabastine | [no description available] | low | 0 | 0 | piperidines | |
preclamol | [no description available] | low | 0 | 0 | piperidines | |
tzu 0460 | [no description available] | low | 0 | 0 | piperidines | |
eliprodil | [no description available] | low | 0 | 0 | monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound | |
3-methylfentanyl | [no description available] | low | 0 | 0 | monocarboxylic acid amide; piperidines | mu-opioid receptor agonist; opioid analgesic; sedative |
f 7302 | [no description available] | low | 0 | 0 | piperidines | |
4-fluorofentanyl | [no description available] | low | 0 | 0 | monocarboxylic acid amide; organofluorine compound; piperidines | |
tenocyclidine | [no description available] | low | 0 | 0 | piperidines; tertiary amino compound; thiophenes | central nervous system stimulant; hallucinogen; neuroprotective agent; NMDA receptor antagonist |
terikalant | [no description available] | low | 0 | 0 | piperidines | |
sufotidine | [no description available] | low | 0 | 0 | piperidines | |
fagomine | [no description available] | low | 0 | 0 | piperidines | |
1-(4-nitrophenyl)piperidine | [no description available] | low | 0 | 0 | piperidines | |
fentanyl isothiocyanate | [no description available] | low | 0 | 0 | piperidines | |
ritalinic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; piperidines | drug metabolite; marine xenobiotic metabolite |
fenpropidine | [no description available] | low | 0 | 0 | piperidines; tertiary amine | |
sk&f 95282 | [no description available] | low | 0 | 0 | piperidines | |
biperiden hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; piperidines; tertiary alcohol | antiparkinson drug; muscarinic antagonist; parasympatholytic |
phenglutarimide | [no description available] | low | 0 | 0 | piperidines | |
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | [no description available] | low | 0 | 0 | piperidines | |
alphaprodine | [no description available] | low | 0 | 0 | piperidines | |
lofentanil | [no description available] | low | 0 | 0 | methyl ester; piperidines; tertiary amino compound; tertiary carboxamide | mu-opioid receptor agonist; opioid analgesic |
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine | [no description available] | low | 0 | 0 | 1-benzothiophenes; piperidines; tertiary amino compound | dopamine uptake inhibitor |
picaridin | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
5-(4-piperidyl)isoxazol-3-ol | [no description available] | low | 0 | 0 | piperidines | |
ku 1257 | [no description available] | low | 0 | 0 | piperidines | |
l 733060 | [no description available] | low | 0 | 0 | piperidines | |
n-(n-benzylpiperidin-4-yl)-4-iodobenzamide | [no description available] | low | 0 | 0 | piperidines | |
l 741626 | [no description available] | low | 0 | 0 | piperidines | |
aminopotentidine | [no description available] | low | 0 | 0 | aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline | H2-receptor antagonist |
migalastat | [no description available] | low | 0 | 0 | piperidines | |
zanapezil | [no description available] | low | 0 | 0 | piperidines | |
anacoline iodide | [no description available] | low | 0 | 0 | dioxolane; piperidines | |
norfentanyl | [no description available] | low | 0 | 0 | anilide; monocarboxylic acid amide; piperidines | drug metabolite; opioid analgesic |
magellanine | [no description available] | low | 0 | 0 | piperidines | |
tecomine | [no description available] | low | 0 | 0 | piperidines | |
isofagomine | [no description available] | low | 0 | 0 | piperidines | |
efinaconazole | [no description available] | low | 0 | 0 | conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
N-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[2-(1-piperidinyl)phenyl]acetamide | [no description available] | low | 0 | 0 | piperidines | |
4-methyl-N-[3-[1-(phenylmethyl)-4-piperidinyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide | [no description available] | low | 0 | 0 | piperidines | |
4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
N-(2-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide | [no description available] | low | 0 | 0 | acetamides; piperidines; pyridines; sulfonamide | |
1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
4-Piperidinobenzoic acid | [no description available] | low | 0 | 0 | piperidines | |
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | [no description available] | low | 0 | 0 | piperidines; quinazolines; tertiary amino compound; toluenes | |
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide | [no description available] | low | 0 | 0 | piperidines | |
2-(phenylmethyl)-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile | [no description available] | low | 0 | 0 | piperidines | |
1-(phenylmethyl)-N'-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarbohydrazide | [no description available] | low | 0 | 0 | piperidines | |
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid | [no description available] | low | 0 | 0 | piperidines | |
3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione | [no description available] | low | 0 | 0 | piperidines | |
1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea | [no description available] | low | 0 | 0 | piperidines | |
4-[4-(phenylmethyl)-1-piperidinyl]thieno[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | piperidines; thienopyrimidine | |
cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester | [no description available] | low | 0 | 0 | piperidines | |
1-[1-(phenylmethyl)-4-piperidinyl]-3-(2-propan-2-ylphenyl)thiourea | [no description available] | low | 0 | 0 | piperidines | |
1-(4-ethylphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea | [no description available] | low | 0 | 0 | piperidines | |
tempo | [no description available] | low | 0 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl | [no description available] | low | 0 | 0 | aminoxyls; dicarboximide; maleimides; piperidines | radical scavenger; spin label |
N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamide | [no description available] | low | 0 | 0 | piperidines | |
N1-(1-benzyl-4-piperidyl)-4-chlorobenzene-1-sulfonamide | [no description available] | low | 0 | 0 | piperidines | |
3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]piperidine-2,6-dione | [no description available] | low | 0 | 0 | piperidines | |
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine | [no description available] | low | 0 | 0 | piperidines | |
4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | piperidines | |
2-benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one | [no description available] | low | 0 | 0 | piperidines | |
5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine | [no description available] | low | 0 | 0 | piperidines; thienopyrimidine | |
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(4-fluorophenyl)urea | [no description available] | low | 0 | 0 | piperidines | |
[4-(2-methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone | [no description available] | low | 0 | 0 | piperidines | |
4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester | [no description available] | low | 0 | 0 | piperidines | |
1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide | [no description available] | low | 0 | 0 | piperidines | |
1-(2-fluorophenyl)-3-[2-(1-piperidinyl)phenyl]urea | [no description available] | low | 0 | 0 | piperidines | |
4-(1-piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester | [no description available] | low | 0 | 0 | piperidines | |
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
3-hydroxy-5-nitro-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine | [no description available] | low | 0 | 0 | piperidines | |
1-(3-chlorophenyl)-3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]methyl]urea | [no description available] | low | 0 | 0 | piperidines | |
1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
femoxetine | [no description available] | low | 0 | 0 | piperidines | |
4-phenyl-1-(4-phenylbutyl)piperidine | [no description available] | low | 0 | 0 | piperidines | |
4-(1h-imidazol-4-ylmethyl)piperidine | [no description available] | low | 0 | 0 | piperidines | |
tandutinib | [no description available] | low | 0 | 0 | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane] | [no description available] | low | 0 | 0 | piperidines | |
3,5-dimethyl-2,6-bis(4-methylphenyl)-4-piperidinone | [no description available] | low | 0 | 0 | piperidines | |
1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-phenylphenyl)urea | [no description available] | low | 0 | 0 | piperidines | |
4-(2-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol | [no description available] | low | 0 | 0 | piperidines | |
1-(3-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea | [no description available] | low | 0 | 0 | piperidines | |
1-(2-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea | [no description available] | low | 0 | 0 | piperidines | |
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
1,4-dimethyl-6-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]quinoxaline-2,3-dione | [no description available] | low | 0 | 0 | piperidines | |
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl ester | [no description available] | low | 0 | 0 | piperidines | |
benzoic acid [[1-(4-nitrophenyl)-4-piperidinylidene]amino] ester | [no description available] | low | 0 | 0 | piperidines | |
1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | piperidines | |
1-[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)phenyl]-3-(3-methylphenyl)urea | [no description available] | low | 0 | 0 | piperidines | |
1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
1-pyrrolidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanone | [no description available] | low | 0 | 0 | piperidines | |
2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide | [no description available] | low | 0 | 0 | piperidines | |
2-(hexylamino)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone | [no description available] | low | 0 | 0 | piperidines | |
5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | piperidines | |
2-methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane | [no description available] | low | 0 | 0 | piperidines | |
N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide | [no description available] | low | 0 | 0 | piperidines | |
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide | [no description available] | low | 0 | 0 | piperidines | |
2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine | [no description available] | low | 0 | 0 | piperidines | |
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine | [no description available] | low | 0 | 0 | aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound | |
1-(4-carbamoyl-2-nitrophenyl)-4-piperidinecarboxylic acid methyl ester | [no description available] | low | 0 | 0 | piperidines | |
N-(1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide | [no description available] | low | 0 | 0 | piperidines | |
5-[2-furanyl-[4-(phenylmethyl)-1-piperidinyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol | [no description available] | low | 0 | 0 | piperidines | |
5-nitro-6-(3-nitrophenyl)-2-piperidinone | [no description available] | low | 0 | 0 | piperidines | |
3-nitro-4-[2-[1-(phenylmethyl)-4-piperidinylidene]hydrazinyl]benzenesulfonamide | [no description available] | low | 0 | 0 | piperidines | |
pibutidine | [no description available] | low | 0 | 0 | aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound | anti-ulcer drug; H2-receptor antagonist |
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
palbociclib | [no description available] | low | 0 | 0 | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
1-(2-chlorophenyl)-3-[4-(1-piperidinylmethyl)phenyl]urea | [no description available] | low | 0 | 0 | piperidines | |
opc-67683 | [no description available] | low | 0 | 0 | piperidines | |
ro 25-6981 | [no description available] | low | 0 | 0 | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
pd 174494 | [no description available] | low | 0 | 0 | piperidines | |
2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide | [no description available] | low | 0 | 0 | piperidines | |
n-demethylloperamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | drug metabolite |
bms201038 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; benzamides; fluorenes; piperidines | anticholesteremic drug; MTP inhibitor |
casopitant | [no description available] | low | 0 | 0 | piperidines | |
rolapitant | [no description available] | low | 0 | 0 | azaspiro compound; ether; organofluorine compound; piperidines; pyrrolidin-2-ones | antiemetic; neurokinin-1 receptor antagonist |
at 7867 | [no description available] | low | 0 | 0 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
at 7519 | [no description available] | low | 0 | 0 | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
alogliptin | [no description available] | low | 0 | 0 | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
azd 8931 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
pf 00299804 | [no description available] | low | 0 | 0 | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
dorsomorphin | [no description available] | low | 0 | 0 | aromatic ether; piperidines; pyrazolopyrimidine; pyridines | bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
6-o-desmethyl donepezil | [no description available] | low | 0 | 0 | piperidines | |
nvp-tae684 | [no description available] | low | 0 | 0 | piperidines | |
[3-[(2-methylphenyl)methyl]-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidinyl]methanol | [no description available] | low | 0 | 0 | piperidines | |
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-phenyl-1-piperidinyl)methyl]oxazole | [no description available] | low | 0 | 0 | piperidines | |
[3-[(3-chlorophenyl)methyl]-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl]methanol | [no description available] | low | 0 | 0 | piperidines | |
2-[4-[1-(2-fluorophenyl)-4-piperidinyl]-1-[(3-methoxyphenyl)methyl]-2-piperazinyl]ethanol | [no description available] | low | 0 | 0 | piperidines | |
[1-[(1,2-dimethyl-3-indolyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol | [no description available] | low | 0 | 0 | piperidines | |
[1-(2-benzofuranylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol | [no description available] | low | 0 | 0 | piperidines | |
1-(5-isoquinolinylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | piperidines | |
3-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidinyl]-oxomethyl]-4,5-dihydro-1H-pyridazin-6-one | [no description available] | low | 0 | 0 | piperidines | |
1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]urea | [no description available] | low | 0 | 0 | piperidines | |
1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]thiourea | [no description available] | low | 0 | 0 | piperidines | |
3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine | [no description available] | low | 0 | 0 | piperidines | |
4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine | [no description available] | low | 0 | 0 | piperidines | |
gdc-0973 | [no description available] | low | 0 | 0 | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
gsk690693 | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
WAY-316606 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone | secreted frizzled-related protein 1 inhibitor |
N-butyl-4-(phenylmethyl)-1-piperidinecarbothioamide | [no description available] | low | 0 | 0 | piperidines | |
N-(2-methylpropyl)-4-(phenylmethyl)-1-piperidinecarbothioamide | [no description available] | low | 0 | 0 | piperidines | |
4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide | [no description available] | low | 0 | 0 | piperidines | |
N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide | [no description available] | low | 0 | 0 | piperidines | |
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid | [no description available] | low | 0 | 0 | carboxylic acid; piperidines | |
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide | [no description available] | low | 0 | 0 | piperidines | |
niraparib | [no description available] | low | 0 | 0 | benzenes; indazoles; piperidines; primary carboxamide | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
ipi-926 | [no description available] | low | 0 | 0 | piperidines | |
asp3026 | [no description available] | low | 0 | 0 | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
bix 01294 | [no description available] | low | 0 | 0 | piperidines | |
pf 3845 | [no description available] | low | 0 | 0 | piperidines | |
glasdegib | [no description available] | low | 0 | 0 | benzimidazoles; nitrile; phenylureas; piperidines | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol | [no description available] | low | 0 | 0 | piperidines | |
1-[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | piperidines | |
2,3-dimethoxy-N-[4-(1-piperidinyl)phenyl]aniline | [no description available] | low | 0 | 0 | piperidines | |
ulixacaltamide | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide | non-narcotic analgesic; T-type calcium channel blocker |
Mps1-IN-2 | [no description available] | low | 0 | 0 | piperidines | |
gilteritinib | [no description available] | low | 0 | 0 | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
alectinib | [no description available] | low | 0 | 0 | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ceritinib | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
gsk2879552 | [no description available] | low | 0 | 0 | benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
ldc4297 | [no description available] | low | 0 | 0 | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
PF-06446846 | [no description available] | low | 0 | 0 | benzamides; monochloropyridine; piperidines; tertiary carboxamide; triazolopyridine | antilipemic drug; EC 3.4.21.61 (kexin) inhibitor |
trimethylamine | [no description available] | low | 0 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
butenafine | [no description available] | low | 0 | 0 | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
n(6),n(6)-dimethyladenine | [no description available] | low | 0 | 0 | tertiary amine | |
triallate | [no description available] | low | 0 | 0 | tertiary amine | |
n,n-dimethylcyclohexylamine | [no description available] | low | 0 | 0 | tertiary amine | |
tripropylamine | [no description available] | low | 0 | 0 | tertiary amine | |
tributylamine | [no description available] | low | 0 | 0 | tertiary amine | |
triethylamine | [no description available] | low | 0 | 0 | tertiary amine | |
eptc | [no description available] | low | 0 | 0 | tertiary amine | |
pebulate | [no description available] | low | 0 | 0 | tertiary amine | |
3-quinuclidinol | [no description available] | low | 0 | 0 | quinuclidines; secondary alcohol; tertiary amine | |
butylate | [no description available] | low | 0 | 0 | tertiary amine | |
difenoxin | [no description available] | low | 0 | 0 | nitrile; piperidinemonocarboxylic acid; tertiary amine | antidiarrhoeal drug |
naftifine | [no description available] | low | 0 | 0 | allylamine antifungal drug; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor |
1-(1-phenylcyclohexyl)pyrrolidine | [no description available] | low | 0 | 0 | pyrrolidines; tertiary amine | general anaesthetic; hallucinogen; NMDA receptor antagonist |
disperse blue 124 | [no description available] | low | 0 | 0 | 1,3-thiazoles; monoazo compound; tertiary amine | allergen; dye; hapten |
lupanine | [no description available] | low | 0 | 0 | delta-lactam; quinolizidine alkaloid; tertiary amine | |
lobeline | [no description available] | low | 0 | 0 | aromatic ketone; piperidine alkaloid; tertiary amine | nicotinic acetylcholine receptor agonist |
ay 25545 | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine | antimicrobial agent; antineoplastic agent; bacterial metabolite |
otonecine | [no description available] | low | 0 | 0 | tertiary amine | |
di-allate | [no description available] | low | 0 | 0 | tertiary amine | |
2-(4-(dimethylamino)styryl)-1-methylpyridinium | [no description available] | low | 0 | 0 | organic iodide salt; pyridinium salt; tertiary amine | fluorochrome |
4-(4-dihexadecylaminostyryl)-n-methylpyridium | [no description available] | low | 0 | 0 | pyridinium ion; tertiary amine | fluorochrome |
lumefantrine | [no description available] | low | 0 | 0 | fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine | antimalarial |
fm1 43 | [no description available] | low | 0 | 0 | organic bromide salt; pyridinium salt; quaternary ammonium salt; tertiary amine | fluorochrome |
ceratamine a | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine | antimitotic; metabolite |
picogreen | [no description available] | low | 0 | 0 | benzothiazoles; cyanine dye; quinolines; tertiary amine | fluorescent dye |
sybr green i | [no description available] | low | 0 | 0 | benzothiazolium ion; cyanine dye; quinolines; tertiary amine | fluorescent dye |