Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
chlorpromazine | [no description available] | high | 728 | 38 | 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 | 728 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
fluphenazine | [no description available] | high | 176 | 14 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
fluphenazine | [no description available] | high | 176 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
mesoridazine | [no description available] | high | 4 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
perazine | [no description available] | high | 5 | 0 | N-alkylpiperazine; N-methylpiperazine; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
periciazine | [no description available] | medium | 4 | 0 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
perphenazine | [no description available] | high | 148 | 9 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
perphenazine | [no description available] | high | 148 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
prochlorperazine | [no description available] | high | 107 | 4 | 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] | high | 107 | 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 |
promazine | [no description available] | high | 88 | 2 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
promazine | [no description available] | high | 88 | 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 | 81 | 2 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
promethazine | [no description available] | high | 81 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
thioridazine | [no description available] | high | 214 | 14 | 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 |
thioridazine | [no description available] | high | 214 | 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 |
triflupromazine | [no description available] | high | 70 | 1 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
triflupromazine | [no description available] | high | 70 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
trimeprazine | [no description available] | high | 27 | 0 | phenothiazines | |
sulfaethidole | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
butaperazine | [no description available] | medium | 4 | 0 | phenothiazines | |
dixyrazine | [no description available] | medium | 2 | 0 | phenothiazines | |
methopromazine | [no description available] | medium | 1 | 0 | phenothiazines | |
1-(2-methoxyphenyl)piperazine | [no description available] | medium | 2 | 0 | piperazines | |
buspirone | [no description available] | high | 13 | 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 |
haloperidol | [no description available] | high | 222 | 18 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
haloperidol | [no description available] | high | 222 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
risperidone | [no description available] | high | 21 | 1 | 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 |
risperidone | [no description available] | high | 21 | 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 |
ritanserin | [no description available] | high | 2 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
levosulpiride | [no description available] | medium | 1 | 0 | sulpiride | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
clozapine | [no description available] | high | 40 | 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 |
propranolol | [no description available] | medium | 50 | 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 | 50 | 2 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 1 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
desipramine | [no description available] | medium | 39 | 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 |
desipramine | [no description available] | medium | 39 | 1 | 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 | 56 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazepam | [no description available] | medium | 56 | 3 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
1-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; N-arylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
lysergic acid diethylamide | [no description available] | medium | 8 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
lysergic acid diethylamide | [no description available] | medium | 8 | 1 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
phencyclidine | [no description available] | medium | 5 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
phenylpiperazine | [no description available] | medium | 1 | 0 | | |
6-chloro-2-(1-piperazinyl)pyrazine | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
atropine | [no description available] | medium | 35 | 0 | | |
cocaine | [no description available] | medium | 9 | 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 |
quinacrine | [no description available] | high | 34 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
gallopamil | [no description available] | medium | 15 | 0 | benzenes; organic amino compound | |
4-aminopyridine | [no description available] | medium | 4 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
phenytoin | [no description available] | medium | 29 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
phenytoin | [no description available] | medium | 29 | 2 | 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 | 2 | 0 | | |
theophylline | [no description available] | medium | 44 | 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] | medium | 68 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amitriptyline | [no description available] | medium | 68 | 3 | 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 | 5 | 0 | 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 | 4 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
bepridil | [no description available] | medium | 18 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
biperiden | [no description available] | medium | 7 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
biperiden | [no description available] | medium | 7 | 1 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bupivacaine | [no description available] | medium | 4 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
butacaine | [no description available] | medium | 3 | 0 | benzoate ester | |
butamben | [no description available] | medium | 2 | 0 | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic |
caffeine | [no description available] | medium | 38 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
verapamil | [no description available] | medium | 199 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
verapamil | [no description available] | medium | 199 | 2 | aromatic ether; nitrile; polyether; tertiary amino compound | |
carbamazepine | [no description available] | medium | 19 | 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 |
carbamazepine | [no description available] | medium | 19 | 1 | 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 | 58 | 0 | benzodiazepine | |
chlordiazepoxide | [no description available] | medium | 58 | 3 | benzodiazepine | |
chlorpheniramine | [no description available] | medium | 6 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
cimetidine | [no description available] | medium | 11 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
clomipramine | [no description available] | high | 18 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
cyproheptadine | [no description available] | medium | 6 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
diazoxide | [no description available] | medium | 4 | 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 | 25 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
dicyclomine | [no description available] | medium | 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 | 14 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
dipyridamole | [no description available] | medium | 10 | 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 | 15 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
droperidol | [no description available] | high | 8 | 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 | 10 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
flufenamic acid | [no description available] | medium | 3 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flumazenil | [no description available] | high | 8 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
hydroxyzine | [no description available] | high | 13 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
lidocaine | [no description available] | medium | 21 | 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 | 130 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
imipramine | [no description available] | medium | 130 | 6 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
indomethacin | [no description available] | medium | 42 | 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 |
1-methyl-3-isobutylxanthine | [no description available] | medium | 40 | 0 | 3-isobutyl-1-methylxanthine | |
loperamide | [no description available] | medium | 12 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
mepivacaine | [no description available] | medium | 3 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
benzoic acid [2-methyl-2-(propylamino)propyl] ester | [no description available] | medium | 2 | 0 | benzoate ester | |
metoprolol | [no description available] | medium | 7 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
mianserin | [no description available] | medium | 7 | 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 | 74 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nisoldipine | [no description available] | medium | 6 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nitrendipine | [no description available] | medium | 10 | 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 | 18 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
nortriptyline | [no description available] | medium | 18 | 1 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
oxethazaine | [no description available] | medium | 3 | 0 | amino acid amide | |
benoxinate | [no description available] | medium | 3 | 0 | amino acid ester; benzoate ester; substituted aniline; tertiary amino compound | drug allergen; local anaesthetic; topical anaesthetic |
papaverine | [no description available] | medium | 16 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
pentobarbital | [no description available] | medium | 17 | 0 | barbiturates | GABAA receptor agonist |
pheniramine | [no description available] | medium | 2 | 0 | pyridines; tertiary amino compound | |
phenobarbital | [no description available] | medium | 28 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenobarbital | [no description available] | medium | 28 | 2 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenoxybenzamine | [no description available] | medium | 14 | 0 | aromatic amine | |
practolol | [no description available] | medium | 4 | 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 | 10 | 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 | 7 | 0 | diarylmethane | |
procainamide | [no description available] | medium | 4 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procaine | [no description available] | medium | 14 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
proxymetacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
protriptyline | [no description available] | medium | 4 | 0 | carbotricyclic compound | antidepressant |
pyrilamine | [no description available] | medium | 8 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 4 | 0 | methoxybenzenes | |
rolipram | [no description available] | medium | 3 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
secobarbital | [no description available] | medium | 4 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
sotalol | [no description available] | medium | 5 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
spiperone | [no description available] | high | 15 | 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 | 8 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
trazodone | [no description available] | high | 9 | 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 | |
reserpine | [no description available] | medium | 59 | 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 | 59 | 4 | 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 | 24 | 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 | 12 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
tetrabenazine | [no description available] | medium | 12 | 1 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
piperoxan | [no description available] | medium | 3 | 0 | | |
nifenalol | [no description available] | medium | 1 | 0 | C-nitro compound | |
brompheniramine | [no description available] | medium | 3 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
propoxycaine | [no description available] | medium | 1 | 0 | benzoate ester | |
dimethisoquin | [no description available] | medium | 2 | 0 | isoquinolines | |
parethoxycaine | [no description available] | medium | 1 | 0 | benzoate ester | |
yohimbine | [no description available] | medium | 4 | 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 | 8 | 0 | diarylmethane | |
bicuculline | [no description available] | medium | 1 | 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 | 2 | 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 | 1 | 0 | diarylmethane | |
butoxamine | [no description available] | medium | 1 | 0 | | |
dexpropranolol | [no description available] | medium | 3 | 0 | propranolol | |
iprindole | [no description available] | medium | 5 | 0 | indoles | |
carticaine | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
timolol | [no description available] | medium | 5 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
butaclamol | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound | |
etidocaine | [no description available] | medium | 1 | 0 | amino acid amide | local anaesthetic |
diltiazem | [no description available] | medium | 33 | 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 |
Arbaclofen | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
colforsin | [no description available] | medium | 44 | 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 | 7 | 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 | | |
strychnine | [no description available] | medium | 3 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
quinidine | [no description available] | medium | 23 | 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 |
diethylstilbestrol | [no description available] | medium | 6 | 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 | 39 | 0 | chlorprothixene | |
chlorprothixene | [no description available] | medium | 39 | 1 | chlorprothixene | |
flunarizine | [no description available] | medium | 14 | 0 | diarylmethane | |
thiothixene | [no description available] | medium | 8 | 0 | N-methylpiperazine | anticoronaviral agent |
cinnarizine | [no description available] | high | 5 | 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 | 23 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
codeine | [no description available] | medium | 6 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
morphine | [no description available] | medium | 27 | 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 |
levorphanol | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
dextrorphan | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
zimeldine | [no description available] | medium | 4 | 0 | styrenes | |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 5 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
scopolamine hydrobromide | [no description available] | medium | 9 | 0 | | |
benzene | [no description available] | medium | 3 | 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 |
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 | 2 | 0 | nitroarene; nitrobenzenes | |
anisole | [no description available] | medium | 2 | 0 | monomethoxybenzene | plant metabolite |
chlorobenzene | [no description available] | medium | 2 | 0 | monochlorobenzenes | solvent |
acridines | [no description available] | medium | 11 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
acridines | [no description available] | medium | 11 | 3 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
dextropropoxyphene | [no description available] | medium | 4 | 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] | high | 5 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
indoramin | [no description available] | medium | 2 | 0 | tryptamines | |
chlorfenethazine | [no description available] | medium | 3 | 0 | phenothiazines | |
emodin | [no description available] | medium | 2 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
resveratrol | [no description available] | medium | 2 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
cis-resveratrol | [no description available] | medium | 1 | 0 | resveratrol | |
polydatin | [no description available] | medium | 2 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
3,5,4'-trihydroxystilbene-4'-o-glucoside | [no description available] | medium | 1 | 0 | | |
loxapine | [no description available] | high | 14 | 6 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
loxapine | [no description available] | high | 14 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
sertindole | [no description available] | medium | 2 | 0 | heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole | alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist |
acepromazine | [no description available] | high | 9 | 0 | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
phenothiazine | [no description available] | medium | 83 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
chloracizine | [no description available] | medium | 1 | 0 | | |
propionylpromazine | [no description available] | medium | 1 | 0 | | |
norchlorpromazine | [no description available] | medium | 2 | 0 | phenothiazines | |
didemethylchlorpromazine | [no description available] | medium | 3 | 0 | phenothiazines | |
7-hydroxychlorpromazine | [no description available] | medium | 1 | 0 | phenothiazines | |
chlorproethazine | [no description available] | medium | 1 | 0 | phenothiazines | |
chlorprothixene | [no description available] | medium | 1 | 0 | chlorprothixene | |
flupenthixol | [no description available] | medium | 3 | 0 | flupenthixol | dopaminergic antagonist |
zuclopenthixol | [no description available] | medium | 1 | 0 | clopenthixol | alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
thiophene-2-carboxaldehyde | [no description available] | medium | 1 | 0 | aldehyde; thiophenes | metabolite |
staurosporine | [no description available] | medium | 3 | 0 | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector |
alpha-terthienyl | [no description available] | medium | 1 | 0 | terthiophene | |
4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
benzoic acid | [no description available] | medium | 5 | 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 | 2 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
salicylic acid | [no description available] | medium | 5 | 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 | 50 | 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 | 2 | 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 | 6 | 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 | 3 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
phenol | [no description available] | medium | 3 | 0 | phenols | antiseptic drug; disinfectant; 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 | 2 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
catechin | [no description available] | medium | 1 | 0 | hydroxyflavan | |
menthol | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
2-aminofluorene | [no description available] | medium | 1 | 0 | | |
homovanillic acid | [no description available] | medium | 14 | 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 | 2 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
acetaminophen | [no description available] | medium | 15 | 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 | 12 | 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 |
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 | 13 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
ciprofibrate | [no description available] | medium | 4 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clofibrate | [no description available] | medium | 8 | 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 | 2 | 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 | 6 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
valproic acid | [no description available] | medium | 11 | 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 |
doxylamine | [no description available] | medium | 3 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
ethacrynic acid | [no description available] | medium | 5 | 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 | 3 | 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 | 17 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
ibuprofen | [no description available] | medium | 11 | 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 |
ketoprofen | [no description available] | medium | 8 | 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] | medium | 7 | 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 | 9 | 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 |
lorazepam | [no description available] | medium | 8 | 0 | benzodiazepine | |
losartan | [no description available] | medium | 8 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
meperidine | [no description available] | medium | 7 | 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 | 4 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
mexiletine | [no description available] | medium | 5 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mitoxantrone | [no description available] | medium | 9 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
oxazepam | [no description available] | medium | 7 | 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 | 6 | 0 | aminobenzoic acid; phenols | antitubercular agent |
phenolphthalein | [no description available] | medium | 1 | 0 | phenols | |
phenolsulfonphthalein | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
phenylbutazone | [no description available] | medium | 7 | 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 |
probenecid | [no description available] | medium | 9 | 0 | benzoic acids; sulfonamide | uricosuric drug |
propofol | [no description available] | high | 7 | 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 | 3 | 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 | 3 | 0 | benzodiazepine | |
terfenadine | [no description available] | medium | 8 | 0 | diarylmethane | |
thonzylamine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
tiaprofenic acid | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
tripelennamine | [no description available] | medium | 1 | 0 | aromatic amine | |
zomepirac | [no description available] | medium | 4 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
corticosterone | [no description available] | medium | 5 | 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 |
estriol | [no description available] | medium | 3 | 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 |
thyroxine | [no description available] | medium | 9 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
aldosterone | [no description available] | medium | 7 | 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 |
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 | 11 | 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 |
tetrahydrocortisone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
estrone | [no description available] | medium | 5 | 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 | 3 | 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 | 16 | 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 | 7 | 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 | 4 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
aniline | [no description available] | medium | 2 | 0 | anilines; primary arylamine | |
desoxycorticosterone | [no description available] | medium | 2 | 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 | 7 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
17-alpha-hydroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
ampicillin | [no description available] | medium | 2 | 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 | 6 | 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 | 2 | 0 | anthraquinone | |
thymol | [no description available] | medium | 4 | 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 | 1 | 0 | | |
2-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | antifungal agrochemical; environmental food contaminant |
quinoline | [no description available] | medium | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
2-naphthylamine | [no description available] | medium | 3 | 0 | naphthylamine | carcinogenic agent |
4-biphenylamine | [no description available] | medium | 1 | 0 | aminobiphenyl | carcinogenic agent |
4-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
benzidine | [no description available] | medium | 3 | 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 | 2 | 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 | 2 | 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 | 3 | 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 | 4 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
ditiocarb | [no description available] | medium | 3 | 0 | dithiocarbamic acids | chelator; copper chelator |
mequinol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
catechin | [no description available] | medium | 2 | 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 | 3 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
chenodeoxycholic acid | [no description available] | medium | 7 | 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 | 2 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
carvacrol | [no description available] | medium | 1 | 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 |
dihydrotestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
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 | 2 | 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 | 5 | 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 | 2 | 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 | 17 | 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 | 2 | 0 | phenols | fungal xenobiotic metabolite |
ursodeoxycholic acid | [no description available] | medium | 8 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
pregnanolone | [no description available] | medium | 2 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
butylated hydroxytoluene | [no description available] | medium | 3 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
zidovudine | [no description available] | medium | 11 | 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 | 7 | 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 | 2 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | medium | 1 | 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 | 1 | 0 | phenanthrenes | |
benzo(a)pyrene-3,6-quinol | [no description available] | medium | 1 | 0 | | |
naproxen | [no description available] | medium | 11 | 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 |
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 | 1 | 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 | 2 | 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 | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
tretinoin | [no description available] | medium | 12 | 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 | 2 | 0 | 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 | 3 | 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 | 1 | 0 | benzazepine | |
digitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid | |
quercetin | [no description available] | medium | 7 | 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 | 5 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
apigenin | [no description available] | medium | 2 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
scopoletin | [no description available] | medium | 1 | 0 | hydroxycoumarin | plant growth regulator; plant metabolite |
hymecromone | [no description available] | medium | 7 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
vitamin d 2 | [no description available] | medium | 5 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
cholecalciferol | [no description available] | medium | 1 | 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 | 2 | 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 | 2 | 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 | 7 | 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 | 3 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
nalmefene | [no description available] | medium | 4 | 0 | morphinane alkaloid | |
nalorphine | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
naloxone | [no description available] | medium | 8 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
oxycodone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
oxymorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
nalbuphine | [no description available] | medium | 3 | 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 | 7 | 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 | 4 | 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 | 10 | 0 | | |
4-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
rifampin | [no description available] | medium | 9 | 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 |
ethylene dichloride | [no description available] | medium | 3 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
adenine | [no description available] | medium | 7 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
benzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
propionaldehyde | [no description available] | medium | 1 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
dibenzofuran | [no description available] | medium | 1 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
alanine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion | fundamental metabolite |
hexachlorocyclohexane | [no description available] | medium | 3 | 0 | chlorocyclohexane | |
indole | [no description available] | medium | 2 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
acetanilide | [no description available] | medium | 2 | 0 | acetamides; anilide | analgesic |
naphthalene | [no description available] | medium | 1 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
1-propanol | [no description available] | medium | 4 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
pyridine | [no description available] | medium | 3 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
dimethyl sulfide | [no description available] | medium | 1 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
succinic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
toluene | [no description available] | medium | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
trimethylamine | [no description available] | medium | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
uracil | [no description available] | medium | 2 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
atrazine | [no description available] | medium | 2 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
barbital | [no description available] | medium | 2 | 0 | barbiturates | drug allergen |
benzamide | [no description available] | medium | 2 | 0 | benzamides | |
bay h 4502 | [no description available] | medium | 3 | 0 | biphenyls; imidazoles | |
bromazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
ddt | [no description available] | medium | 4 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
diuron | [no description available] | medium | 3 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
ether | [no description available] | medium | 3 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
fluconazole | [no description available] | medium | 9 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flurbiprofen | [no description available] | medium | 9 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam; isoindoles; monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2-propanol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
nevirapine | [no description available] | medium | 6 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
phenacetin | [no description available] | medium | 6 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
mannitol | [no description available] | medium | 8 | 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 |
4-toluenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
1,1,1-trichloroethane | [no description available] | medium | 2 | 0 | chloroethanes | polar solvent |
ethylamine | [no description available] | medium | 2 | 0 | primary aliphatic amine | human metabolite |
nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
tert-butyl alcohol | [no description available] | medium | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
methylethyl ketone | [no description available] | medium | 2 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
trichloroethylene | [no description available] | medium | 5 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
methyl acetate | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent |
nitroethane | [no description available] | medium | 1 | 0 | primary nitroalkane | |
fluorene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
hexamethylbenzene | [no description available] | medium | 1 | 0 | methylbenzene | |
diphenyl | [no description available] | medium | 1 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
methyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
benzotrifluoride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; fluorohydrocarbon | environmental contaminant; NMR chemical shift reference compound; solvent |
acetophenone | [no description available] | medium | 1 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
carvone | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; carvones | allergen |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
4-chloroaniline | [no description available] | medium | 1 | 0 | chloroaniline; monochlorobenzenes | |
propionitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | polar aprotic solvent |
bromobenzene | [no description available] | medium | 3 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
pentane | [no description available] | medium | 2 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
dimethoxymethane | [no description available] | medium | 1 | 0 | acetal; diether | |
tetrahydrofuran | [no description available] | medium | 1 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
n-hexane | [no description available] | medium | 3 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
cyclohexane | [no description available] | medium | 3 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
cyclohexene | [no description available] | medium | 1 | 0 | cycloalkene | |
morpholine | [no description available] | medium | 1 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
3-nitrobenzoic acid | [no description available] | medium | 1 | 0 | | |
ethyl acetate | [no description available] | medium | 2 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
ephedrine | [no description available] | medium | 5 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
4-chloroacetanilide | [no description available] | medium | 1 | 0 | acetamides; monochlorobenzenes | |
1-chloropropane | [no description available] | medium | 1 | 0 | | |
2,3-dichlorophenol | [no description available] | medium | 1 | 0 | | |
methyl butyrate | [no description available] | medium | 1 | 0 | fatty acid ester | |
decachlorobiphenyl | [no description available] | medium | 1 | 0 | pentachlorobenzenes; polychlorobiphenyl | |
desmedipham | [no description available] | medium | 1 | 0 | carbamate ester | agrochemical; environmental contaminant; herbicide; xenobiotic |
menthone | [no description available] | medium | 1 | 0 | menthone | |
dimethylacetamide | [no description available] | medium | 1 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
pyrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
fenoxycarb | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
fenclofenac | [no description available] | medium | 2 | 0 | aromatic ether | |
camphora | [no description available] | medium | 1 | 0 | camphor | |
(+)-limonene | [no description available] | medium | 3 | 0 | limonene | plant metabolite |
griseofulvin | [no description available] | medium | 6 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
sulindac | [no description available] | medium | 9 | 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 |
dinoprostone | [no description available] | medium | 35 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
nifuroxime | [no description available] | medium | 2 | 0 | | |
nitrofurantoin | [no description available] | medium | 8 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
warfarin | [no description available] | medium | 14 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
guanine | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allopurinol | [no description available] | medium | 20 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
2-benzyloxybenzaldehyde | [no description available] | medium | 2 | 0 | | |
carvedilol | [no description available] | medium | 3 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
clofazimine | [no description available] | medium | 3 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
itraconazole | [no description available] | medium | 5 | 0 | piperazines | |
ketoconazole | [no description available] | medium | 17 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
nicardipine | [no description available] | medium | 20 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
emetine | [no description available] | medium | 4 | 0 | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
vinblastine | [no description available] | medium | 3 | 0 | | |
paclitaxel | [no description available] | medium | 15 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
lovastatin | [no description available] | medium | 9 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
simvastatin | [no description available] | medium | 8 | 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 |
clarithromycin | [no description available] | medium | 6 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
norgallopamil | [no description available] | medium | 1 | 0 | | |
tetraphenylphosphonium | [no description available] | medium | 5 | 0 | heteroorganic entity; phosphorus molecular entity; polyatomic cation | |
troleandomycin | [no description available] | medium | 3 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
tamoxifen | [no description available] | medium | 44 | 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 |
cyclosporine | [no description available] | medium | 10 | 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 |
amiodarone | [no description available] | medium | 14 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
omeprazole | [no description available] | medium | 5 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
propafenone | [no description available] | medium | 6 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
dexverapamil | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor |
pafenolol | [no description available] | medium | 1 | 0 | | |
lekoptin | [no description available] | medium | 2 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
norverapamil | [no description available] | medium | 1 | 0 | aromatic ether; nitrile; polyether; secondary amino compound | |
quetiapine | [no description available] | high | 2 | 0 | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist |
pimozide | [no description available] | high | 57 | 10 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
pimozide | [no description available] | high | 57 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
molindone | [no description available] | medium | 8 | 0 | indoles | |
molindone | [no description available] | medium | 8 | 3 | indoles | |
aripiprazole | [no description available] | high | 7 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
ziprasidone | [no description available] | medium | 3 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
olanzapine | [no description available] | high | 13 | 3 | 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 | 13 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
n-(3-(aminomethyl)benzyl)acetamidine | [no description available] | medium | 4 | 0 | aralkylamine; carboxamidine; primary amino compound | angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector |
4',7-dihydroxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone | metabolite |
2'-hydroxygenistein | [no description available] | medium | 1 | 0 | hydroxyisoflavone | plant metabolite |
4,5,6,7-tetrabromo-2-azabenzimidazole | [no description available] | medium | 1 | 0 | | |
patulin | [no description available] | medium | 1 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
michler's ketone | [no description available] | medium | 1 | 0 | benzophenones | |
neutral red base | [no description available] | medium | 1 | 0 | aromatic amine; phenazines; primary amino compound; tertiary amino compound | acid-base indicator; dye; two-colour indicator |
epirubicin | [no description available] | medium | 6 | 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 |
ribavirin 5'-triphosphate | [no description available] | medium | 1 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose triphosphate | antiviral agent; drug metabolite; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; eukaryotic initiation factor 4F inhibitor; human blood serum metabolite |
ribavirin 5'-diphosphate | [no description available] | medium | 1 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide; ribose diphosphate | antiviral agent; drug metabolite |
4-phenyl-4-oxo-2-hydroxybuten-2-oic acid | [no description available] | medium | 1 | 0 | | |
biln 2061 | [no description available] | medium | 1 | 0 | | |
buflomedil | [no description available] | medium | 1 | 0 | aromatic ketone | |
nafoxidine | [no description available] | medium | 2 | 0 | benzenes; naphthalenes; ring assembly | |
raloxifene | [no description available] | medium | 5 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
trifluperidol | [no description available] | medium | 18 | 0 | aromatic ketone | |
trifluperidol | [no description available] | medium | 18 | 6 | aromatic ketone | |
triparanol | [no description available] | medium | 2 | 0 | stilbenoid | anticoronaviral agent |
1,3-ditolylguanidine | [no description available] | medium | 1 | 0 | toluenes | |
opipramol | [no description available] | medium | 2 | 0 | dibenzoazepine | |
opipramol | [no description available] | medium | 2 | 1 | dibenzoazepine | |
jervine | [no description available] | medium | 1 | 0 | piperidines | |
naftifine | [no description available] | medium | 2 | 0 | allylamine antifungal drug; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor |
carbizocaine | [no description available] | medium | 1 | 0 | | |
fenpropimorph | [no description available] | medium | 2 | 0 | alkylbenzene | |
preclamol | [no description available] | medium | 1 | 0 | | |
enclomiphene | [no description available] | medium | 3 | 0 | | |
zuclomiphene | [no description available] | medium | 1 | 0 | stilbenoid | |
terbinafine | [no description available] | medium | 6 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
bm 15766 | [no description available] | medium | 1 | 0 | | |
ne 100 | [no description available] | medium | 1 | 0 | | |
bupropion | [no description available] | medium | 6 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
aminocaproic acid | [no description available] | medium | 5 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
tacrine | [no description available] | medium | 6 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acebutolol | [no description available] | medium | 5 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
acetohydroxamic acid | [no description available] | medium | 3 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
albuterol | [no description available] | medium | 7 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alendronate | [no description available] | medium | 5 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
alprazolam | [no description available] | medium | 6 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
alprazolam | [no description available] | medium | 6 | 1 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
altretamine | [no description available] | medium | 4 | 0 | triamino-1,3,5-triazine | |
amantadine | [no description available] | medium | 12 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amantadine | [no description available] | medium | 12 | 2 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amifostine anhydrous | [no description available] | medium | 3 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
aminoglutethimide | [no description available] | medium | 6 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
amlexanox | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
amlodipine | [no description available] | medium | 5 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amoxapine | [no description available] | high | 8 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
anastrozole | [no description available] | medium | 2 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
apraclonidine | [no description available] | medium | 1 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
astemizole | [no description available] | medium | 6 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
atenolol | [no description available] | medium | 10 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | medium | 8 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
azelastine | [no description available] | medium | 1 | 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 |
betaxolol | [no description available] | medium | 4 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bicalutamide | [no description available] | medium | 6 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bisoprolol | [no description available] | medium | 5 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
brimonidine | [no description available] | medium | 1 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
busulfan | [no description available] | medium | 6 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
butenafine | [no description available] | medium | 1 | 0 | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
carmustine | [no description available] | medium | 4 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
carteolol | [no description available] | medium | 3 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
cetirizine | [no description available] | medium | 3 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlormezanone | [no description available] | medium | 3 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
ciclopirox | [no description available] | medium | 3 | 0 | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic |
cinoxacin | [no description available] | medium | 1 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofloxacin | [no description available] | medium | 7 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
cisapride | [no description available] | medium | 4 | 0 | benzamides | |
clonidine | [no description available] | medium | 15 | 0 | clonidine; imidazoline | |
clonidine | [no description available] | medium | 15 | 2 | clonidine; imidazoline | |
chlorazepate | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
cyclobenzaprine | [no description available] | medium | 5 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
diclofenac | [no description available] | medium | 13 | 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 |
dipivefrin | [no description available] | medium | 1 | 0 | ethanolamines; pivalate ester | adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent |
disopyramide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
disulfiram | [no description available] | medium | 9 | 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 |
doxazosin | [no description available] | medium | 4 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
econazole | [no description available] | medium | 4 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
enflurane | [no description available] | medium | 2 | 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 | 2 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
etidronate | [no description available] | medium | 7 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
etodolac | [no description available] | medium | 3 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
brl 42810 | [no description available] | medium | 3 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
felbamate | [no description available] | medium | 6 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fenfluramine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
fentanyl | [no description available] | medium | 3 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fexofenadine | [no description available] | medium | 5 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
flecainide | [no description available] | medium | 4 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
flucytosine | [no description available] | medium | 5 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluorouracil | [no description available] | high | 9 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluoxetine | [no description available] | medium | 14 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
fluphenazine depot | [no description available] | high | 4 | 0 | decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug |
fluphenazine enanthate | [no description available] | medium | 1 | 0 | phenothiazines | |
flutamide | [no description available] | medium | 8 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
foscarnet | [no description available] | medium | 4 | 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 | 5 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
gemfibrozil | [no description available] | medium | 5 | 0 | aromatic ether | antilipemic drug |
glimepiride | [no description available] | medium | 7 | 0 | sulfonamide | |
glipizide | [no description available] | medium | 2 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
glyburide | [no description available] | medium | 7 | 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 |
granisetron | [no description available] | medium | 2 | 0 | aromatic amide; indazoles | |
guanfacine | [no description available] | medium | 2 | 0 | acetamides | |
halothane | [no description available] | high | 7 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
hydrochlorothiazide | [no description available] | medium | 7 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | medium | 8 | 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 |
phenelzine | [no description available] | medium | 24 | 0 | primary amine | |
ifosfamide | [no description available] | medium | 6 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
amrinone | [no description available] | medium | 9 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indapamide | [no description available] | medium | 4 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
iodixanol | [no description available] | medium | 1 | 0 | organoiodine compound | radioopaque medium |
iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iopromide | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
ioversol | [no description available] | medium | 2 | 0 | amidobenzoic acid | |
isoflurane | [no description available] | medium | 2 | 0 | organofluorine compound | inhalation anaesthetic |
isoniazid | [no description available] | medium | 7 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isradipine | [no description available] | medium | 2 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
ketorolac | [no description available] | medium | 3 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
lansoprazole | [no description available] | medium | 4 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lomefloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
loratadine | [no description available] | medium | 4 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
maprotiline | [no description available] | medium | 10 | 0 | anthracenes | |
mebendazole | [no description available] | medium | 5 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclofenamic acid | [no description available] | medium | 6 | 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 |
mefenamic acid | [no description available] | medium | 5 | 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 |
mefloquine hydrochloride | [no description available] | medium | 2 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
metformin | [no description available] | medium | 5 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metoclopramide | [no description available] | high | 10 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metronidazole | [no description available] | medium | 6 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
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 |
midodrine | [no description available] | medium | 2 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
minoxidil | [no description available] | medium | 5 | 0 | dialkylarylamine; tertiary amino compound | |
mirtazapine | [no description available] | medium | 4 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
nabumetone | [no description available] | medium | 4 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nefazodone | [no description available] | medium | 7 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nilutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nimodipine | [no description available] | medium | 13 | 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 |
nizatidine | [no description available] | medium | 3 | 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 | 5 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
ofloxacin | [no description available] | medium | 4 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
ondansetron | [no description available] | medium | 2 | 0 | carbazoles | |
oxaprozin | [no description available] | medium | 4 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
pamidronate | [no description available] | medium | 5 | 0 | phosphonoacetic acid | |
pemoline | [no description available] | medium | 5 | 0 | 1,3-oxazoles | central nervous system stimulant |
pentamidine | [no description available] | high | 7 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
pentoxifylline | [no description available] | medium | 4 | 0 | oxopurine | |
pindolol | [no description available] | medium | 5 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pirbuterol | [no description available] | medium | 1 | 0 | pyridines | |
prazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
praziquantel | [no description available] | medium | 10 | 0 | isoquinolines | |
primidone | [no description available] | medium | 9 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
primidone | [no description available] | medium | 9 | 1 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
procarbazine | [no description available] | medium | 3 | 0 | benzamides; hydrazines | antineoplastic agent |
sch 16134 | [no description available] | medium | 2 | 0 | benzodiazepine | |
ranitidine | [no description available] | medium | 5 | 0 | aralkylamine | |
riluzole | [no description available] | medium | 5 | 0 | benzothiazoles | |
rimantadine | [no description available] | medium | 3 | 0 | alkylamine | |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
sevoflurane | [no description available] | medium | 2 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
sulfadiazine | [no description available] | medium | 5 | 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 |
sulconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
sulfasalazine | [no description available] | medium | 5 | 0 | | |
sumatriptan | [no description available] | medium | 5 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
tazarotene | [no description available] | medium | 1 | 0 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
terazosin | [no description available] | medium | 2 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
thiotepa | [no description available] | medium | 3 | 0 | aziridines | |
ticlopidine | [no description available] | medium | 8 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tioconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles; thiophenes | |
tiopronin | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
tizanidine | [no description available] | medium | 2 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
ultram | [no description available] | medium | 3 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
triazolam | [no description available] | medium | 4 | 0 | triazolobenzodiazepine | sedative |
trientine | [no description available] | medium | 1 | 0 | polyazaalkane; tetramine | copper chelator |
trimethadione | [no description available] | medium | 5 | 0 | oxazolidinone | anticonvulsant; geroprotector |
trimetrexate | [no description available] | medium | 2 | 0 | | |
trimipramine | [no description available] | medium | 4 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
venlafaxine | [no description available] | medium | 5 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
ici 204,219 | [no description available] | medium | 6 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zolpidem | [no description available] | medium | 4 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
floxuridine | [no description available] | medium | 3 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
spironolactone | [no description available] | medium | 5 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
penicillamine | [no description available] | medium | 7 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
pilocarpine | [no description available] | medium | 8 | 0 | pilocarpine | antiglaucoma drug |
vincristine | [no description available] | medium | 3 | 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 |
testosterone propionate | [no description available] | medium | 1 | 0 | steroid ester | |
bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
cytarabine | [no description available] | medium | 6 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
trifluridine | [no description available] | medium | 3 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
medroxyprogesterone acetate | [no description available] | medium | 3 | 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 |
mestranol | [no description available] | medium | 6 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
methylprednisolone | [no description available] | high | 6 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
estradiol dipropionate | [no description available] | medium | 1 | 0 | steroid ester | |
nafcillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
methohexital | [no description available] | medium | 3 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
estradiol 17 beta-cypionate | [no description available] | medium | 1 | 0 | steroid ester | |
testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester; sterol ester | androgen |
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 |
podophyllotoxin | [no description available] | medium | 2 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
levocarnitine | [no description available] | medium | 3 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
megestrol acetate | [no description available] | medium | 4 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
acetylcysteine | [no description available] | medium | 7 | 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 | [no description available] | medium | 8 | 0 | cyclic ketone; erythromycin | |
levonorgestrel | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
ethambutol | [no description available] | medium | 5 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
dronabinol | [no description available] | medium | 3 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
betamethasone valerate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester | anti-inflammatory drug |
methylprednisolone hemisuccinate | [no description available] | medium | 1 | 0 | corticosteroid hormone; hemisuccinate | |
stavudine | [no description available] | medium | 7 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
tranylcypromine | [no description available] | medium | 96 | 0 | 2-phenylcyclopropan-1-amine | |
tranylcypromine | [no description available] | medium | 96 | 4 | 2-phenylcyclopropan-1-amine | |
cladribine | [no description available] | medium | 4 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
beclomethasone | [no description available] | medium | 4 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug |
estradiol enanthate | [no description available] | medium | 1 | 0 | steroid ester | |
betamethasone-17,21-dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester | antipsoriatic |
olsalazine | [no description available] | medium | 3 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
zalcitabine | [no description available] | medium | 6 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
selegiline | [no description available] | medium | 5 | 0 | selegiline; terminal acetylenic compound | geroprotector |
levamisole | [no description available] | medium | 4 | 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 |
cephalexin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
isosorbide-5-mononitrate | [no description available] | medium | 1 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
danazol | [no description available] | medium | 8 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
cephapirin | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
bromocriptine | [no description available] | medium | 11 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
metipranolol | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; propanolamine; secondary amino compound | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
halazepam | [no description available] | medium | 2 | 0 | organic molecular entity | |
du-21220 | [no description available] | medium | 1 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
cefazolin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
amoxicillin | [no description available] | medium | 6 | 0 | penicillin allergen; penicillin | antibacterial drug |
moricizine | [no description available] | high | 7 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
bitolterol | [no description available] | medium | 1 | 0 | carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug |
tobramycin | [no description available] | medium | 4 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
etoposide | [no description available] | medium | 12 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
dobutamine | [no description available] | medium | 6 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
penbutolol | [no description available] | medium | 3 | 0 | ethanolamines | |
ribavirin | [no description available] | medium | 6 | 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 |
guanadrel | [no description available] | medium | 1 | 0 | guanidines; spiroketal | adrenergic antagonist; antihypertensive agent |
methyldopa | [no description available] | medium | 10 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
tocainide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 5 | 0 | | |
levobunolol | [no description available] | medium | 1 | 0 | aromatic ether; cyclic ketone; propanolamine | antiglaucoma drug; beta-adrenergic antagonist |
vecuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent; nicotinic antagonist |
permethrin | [no description available] | medium | 3 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
sufentanil | [no description available] | medium | 2 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
torsemide | [no description available] | medium | 3 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
cefmetazole | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
desflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
idarubicin | [no description available] | medium | 3 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
cefonicid | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
piperacillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
paroxetine | [no description available] | high | 11 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
captopril | [no description available] | medium | 10 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
cefoperazone | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug |
lodoxamide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
atracurium | [no description available] | medium | 3 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
butoconazole | [no description available] | medium | 1 | 0 | aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes | |
pergolide | [no description available] | medium | 4 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
cefadroxil anhydrous | [no description available] | medium | 4 | 0 | cephalosporin | antibacterial drug |
encainide | [no description available] | medium | 1 | 0 | benzamides; piperidines | anti-arrhythmia drug; sodium channel blocker |
nedocromil | [no description available] | medium | 2 | 0 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
cefaclor anhydrous | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug; drug allergen |
alfentanil | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
cefotetan | [no description available] | medium | 4 | 0 | | |
levocabastine | [no description available] | medium | 1 | 0 | piperidines | |
pravastatin | [no description available] | medium | 4 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
cabergoline | [no description available] | medium | 2 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
quinapril | [no description available] | medium | 5 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
fosphenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | |
finasteride | [no description available] | medium | 3 | 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 | 3 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
adapalene | [no description available] | medium | 1 | 0 | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
zileuton | [no description available] | medium | 6 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
cidofovir anhydrous | [no description available] | medium | 3 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
topotecan | [no description available] | medium | 3 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
gemcitabine | [no description available] | high | 4 | 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 | 2 | 0 | benzenes; organic amino compound | |
remifentanil | [no description available] | medium | 2 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
atorvastatin | [no description available] | medium | 3 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lamivudine | [no description available] | medium | 7 | 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 | 4 | 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 | 7 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
adenosine | [no description available] | medium | 15 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
cefprozil | [no description available] | medium | 2 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
methylprednisolone aceponate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
dexamethasone 17-valerate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dexamethasone dipropionate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
iopamidol | [no description available] | medium | 3 | 0 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
dexfenfluramine | [no description available] | medium | 2 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
sertraline | [no description available] | medium | 9 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
erythromycin propionate | [no description available] | medium | 1 | 0 | erythromycin derivative | |
dexrazoxane | [no description available] | medium | 2 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
antebate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
atovaquone | [no description available] | medium | 4 | 0 | hydroxy-1,2-naphthoquinone | |
flunisolide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
nicotine | [no description available] | medium | 14 | 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 |
moexipril | [no description available] | medium | 3 | 0 | peptide | |
methotrexate | [no description available] | medium | 8 | 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 |
docetaxel | [no description available] | medium | 2 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
levofloxacin | [no description available] | medium | 5 | 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 |
ropivacaine | [no description available] | medium | 2 | 0 | piperidinecarboxamide; ropivacaine | local anaesthetic |
estradiol 3-benzoate | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
estramustine | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
ritonavir | [no description available] | medium | 8 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
pentostatin | [no description available] | medium | 2 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
meropenem | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
cefoxitin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
saquinavir | [no description available] | medium | 6 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
netilmicin | [no description available] | medium | 1 | 0 | | |
metyrosine | [no description available] | medium | 3 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
rocuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent |
terconazole | [no description available] | medium | 1 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
bacampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
erythromycin ethylsuccinate | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
amcinonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal | anti-inflammatory drug |
betamethasone acetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone | |
acarbose | [no description available] | medium | 2 | 0 | amino cyclitol; glycoside | |
mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
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 | 6 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
teniposide | [no description available] | medium | 3 | 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 |
cefamandole | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
dactinomycin | [no description available] | medium | 15 | 0 | actinomycin | mutagen |
melphalan | [no description available] | medium | 5 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
sch 22219 | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester | anti-inflammatory drug |
mezlocillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
cholinophyllin | [no description available] | medium | 1 | 0 | | |
fludarabine | [no description available] | medium | 1 | 0 | purine nucleoside | |
propylthiouracil | [no description available] | medium | 4 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
ipratropium bromide anhydrous | [no description available] | medium | 2 | 0 | | |
etomidate | [no description available] | medium | 4 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
mercaptopurine | [no description available] | medium | 6 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
benztropine | [no description available] | medium | 20 | 0 | diarylmethane | |
benztropine | [no description available] | medium | 20 | 2 | diarylmethane | |
thioguanine anhydrous | [no description available] | medium | 6 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
succimer | [no description available] | medium | 2 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
streptozocin | [no description available] | medium | 5 | 0 | | |
ethionamide | [no description available] | medium | 5 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
dezocine | [no description available] | medium | 1 | 0 | phenols; primary amino compound | opioid analgesic |
dapiprazole | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-arylpiperazine; pyridines | alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug |
flosequinan | [no description available] | medium | 1 | 0 | quinolines | |
calcitriol | [no description available] | medium | 12 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
alprostadil | [no description available] | medium | 8 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
alprostadil | [no description available] | medium | 8 | 1 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
amphotericin b | [no description available] | medium | 12 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
pulmicort | [no description available] | medium | 4 | 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 |
olopatadine | [no description available] | medium | 1 | 0 | | |
bw b1090u | [no description available] | medium | 1 | 0 | isoquinolines | |
7432 s | [no description available] | medium | 2 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
etretinate | [no description available] | medium | 1 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
misoprostol | [no description available] | medium | 2 | 0 | | |
epoprostenol | [no description available] | medium | 2 | 0 | prostaglandins I | mouse metabolite |
betamethasone benzoate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dorzolamide | [no description available] | medium | 2 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
ly 163892 | [no description available] | medium | 5 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
topiramate | [no description available] | medium | 5 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
calcipotriene | [no description available] | medium | 1 | 0 | cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol | antipsoriatic; drug allergen |
clobetasol | [no description available] | medium | 1 | 0 | 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 |
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 |
halobetasol | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
latanoprost | [no description available] | medium | 1 | 0 | isopropyl ester; prostaglandins Falpha; triol | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug |
rimexolone | [no description available] | medium | 1 | 0 | 20-oxo steroid | |
vinorelbine | [no description available] | medium | 4 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
fluvoxamine | [no description available] | medium | 5 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 5 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
oxiconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
butorphanol | [no description available] | medium | 2 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
cefixime | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug; drug allergen |
lisinopril | [no description available] | medium | 5 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
benazepril | [no description available] | medium | 4 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
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 | 6 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
enalapril | [no description available] | medium | 4 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
cefuroxime | [no description available] | medium | 2 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
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 |
cefepime | [no description available] | medium | 2 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
ceftazidime | [no description available] | medium | 4 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) 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 | [no description available] | medium | 2 | 0 | dichlorobenzene | |
famotidine | [no description available] | medium | 5 | 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 | 4 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
cci 15641 | [no description available] | medium | 1 | 0 | cephalosporin | |
cefpodoxime | [no description available] | medium | 2 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
cefpodoxime proxetil | [no description available] | medium | 1 | 0 | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
ceftizoxime | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
dantrolene | [no description available] | medium | 4 | 0 | | |
fosinopril | [no description available] | medium | 2 | 0 | | |
nystatin a1 | [no description available] | medium | 4 | 0 | nystatins | |
mesna | [no description available] | medium | 2 | 0 | organosulfonic acid | |
cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug; prodrug |
minocycline | [no description available] | medium | 7 | 0 | | |
piroxicam | [no description available] | medium | 7 | 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 |
meclocycline | [no description available] | medium | 1 | 0 | | |
acyclovir | [no description available] | medium | 5 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
didanosine | [no description available] | medium | 6 | 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 | 4 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
valacyclovir | [no description available] | medium | 3 | 0 | L-valyl ester | antiviral drug |
penciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
rifabutin | [no description available] | medium | 5 | 0 | | |
2-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic 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 |
antipyrine | [no description available] | medium | 2 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
4-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
4-phenylbutyric acid | [no description available] | medium | 3 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
resorcinol | [no description available] | medium | 1 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
sulfabenzamide | [no description available] | medium | 3 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
sulfacetamide | [no description available] | medium | 2 | 0 | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfanilamide | [no description available] | medium | 3 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
tolbutamide | [no description available] | medium | 11 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
2,4,6-trichlorophenol | [no description available] | medium | 1 | 0 | trichlorophenol | carcinogenic agent |
1-chloro-2-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | |
n,n-diethylaniline | [no description available] | medium | 1 | 0 | | |
methyl nicotinate | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
nicotinic acid benzyl ester | [no description available] | medium | 1 | 0 | benzyl ester | vasodilator agent |
3,4-dimethylphenol | [no description available] | medium | 1 | 0 | phenols | |
4-bromophenol | [no description available] | medium | 3 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
isoquinoline | [no description available] | medium | 1 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
sulfanilylurea | [no description available] | medium | 3 | 0 | benzenes; sulfonamide | |
5-phenylvaleric acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
triamcinolone | [no description available] | medium | 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 |
4-n-butylaminobenzoic acid | [no description available] | medium | 1 | 0 | aromatic amino acid | |
2-amino-4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | |
2-nitro-4-phenylenediamine | [no description available] | medium | 1 | 0 | C-nitro compound; primary amino compound | |
diphenyleneiodium chloride | [no description available] | medium | 2 | 0 | organic chloride salt | EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist |
genistein | [no description available] | medium | 4 | 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 |
mepazine | [no description available] | medium | 11 | 0 | phenothiazines | |
chlorpromazine hydrochloride | [no description available] | high | 1 | 0 | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug |
eskazine | [no description available] | medium | 1 | 0 | | |
acetone | [no description available] | medium | 2 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
carbon monoxide | [no description available] | medium | 2 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
nitrous oxide | [no description available] | medium | 5 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
clotiazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
ethenzamide | [no description available] | medium | 1 | 0 | organic molecular entity | |
hexobarbital | [no description available] | medium | 4 | 0 | barbiturates | |
methoxyflurane | [no description available] | medium | 2 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
methylphenidate | [no description available] | medium | 11 | 0 | beta-amino acid ester; methyl ester; piperidines | |
methylphenidate | [no description available] | medium | 11 | 1 | beta-amino acid ester; methyl ester; piperidines | |
nalidixic acid | [no description available] | medium | 5 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
oxprenolol | [no description available] | medium | 3 | 0 | aromatic ether | |
tegafur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
trihexyphenidyl | [no description available] | medium | 21 | 0 | amine | |
chloroform | [no description available] | medium | 5 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
ethane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
ethylene | [no description available] | medium | 1 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
acetylene | [no description available] | medium | 1 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
methylene chloride | [no description available] | medium | 1 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
cyclopropane | [no description available] | medium | 17 | 0 | cycloalkane; cyclopropanes | inhalation anaesthetic |
ethylene oxide | [no description available] | medium | 1 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
1,1,1-trifluoro-2-chloroethane | [no description available] | medium | 1 | 0 | organofluorine compound | |
butobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
isobutyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
acrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
penicillin v | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | |
2-xylene | [no description available] | medium | 1 | 0 | xylene | |
3-methylpentane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | allelochemical; human metabolite; non-polar solvent |
methylcyclopentane | [no description available] | medium | 1 | 0 | cycloalkane; volatile organic compound | human metabolite; plant metabolite |
4-chloro-alpha,alpha,alpha-trifluorotoluene | [no description available] | medium | 1 | 0 | | |
1,3-butadiene | [no description available] | medium | 1 | 0 | butadiene | carcinogenic agent; mutagen |
2-methylpentane | [no description available] | medium | 1 | 0 | alkane | |
propylene | [no description available] | medium | 1 | 0 | alkene; gas molecular entity | refrigerant; xenobiotic |
n-heptane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
sulfur hexafluoride | [no description available] | medium | 1 | 0 | sulfur coordination entity | greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent |
toliprolol | [no description available] | medium | 1 | 0 | aromatic ether | |
dicloxacillin | [no description available] | medium | 3 | 0 | dichlorobenzene; penicillin | antibacterial drug |
helium | [no description available] | medium | 1 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
chloroprene | [no description available] | medium | 1 | 0 | chloroolefin | |
tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
miloxacin | [no description available] | medium | 1 | 0 | quinolines | |
inaperisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
4-phenylbenzoic acid | [no description available] | medium | 1 | 0 | | |
cdri 81-470 | [no description available] | medium | 1 | 0 | | |
yh 1885 | [no description available] | medium | 1 | 0 | | |
cotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
digoxin | [no description available] | medium | 8 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
thiopental | [no description available] | medium | 9 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
sch 442416 | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
mobiflex | [no description available] | medium | 2 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
1-(10h-phenothiazin-2-yl)ethanone | [no description available] | medium | 1 | 0 | phenothiazines | |
4-phenyl-3-furoxancarbonitrile | [no description available] | medium | 1 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
1-(4-methanesulfonamidophenoxy)-3-(n-methyl-3,4-dichlorophenylethylamino)-2-propanol | [no description available] | medium | 1 | 0 | sulfonamide | |
2,2-bis(4-glycidyloxyphenyl)propane | [no description available] | medium | 1 | 0 | diarylmethane | |
bay-k-8644 | [no description available] | medium | 20 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
cypermethrin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
fluspirilene | [no description available] | medium | 5 | 0 | diarylmethane | |
fpl 64176 | [no description available] | medium | 1 | 0 | carboxylic ester; pyrroles | calcium channel agonist |
n-(2-aminoethyl)-5-isoquinolinesulfonamide | [no description available] | medium | 3 | 0 | | |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 6 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
ml 9 | [no description available] | medium | 1 | 0 | naphthalenes; sulfonic acid derivative | |
ro 31-8220 | [no description available] | medium | 1 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
sb 202190 | [no description available] | medium | 1 | 0 | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
dpi 201-106 | [no description available] | medium | 3 | 0 | diarylmethane | |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 49 | 0 | trihydroxybenzoic acid | |
cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
indirubin | [no description available] | medium | 1 | 0 | | |
nigericin | [no description available] | medium | 4 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
castanospermine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
niguldipine | [no description available] | medium | 1 | 0 | diarylmethane | |
aloxistatin | [no description available] | medium | 2 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
chelerythrine chloride | [no description available] | medium | 1 | 0 | | |
calpeptin | [no description available] | medium | 2 | 0 | amino acid amide | |
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole | [no description available] | medium | 1 | 0 | ether; imidazoles; monomethoxybenzene | TRP channel blocker |
paxilline | [no description available] | medium | 2 | 0 | diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol | anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker |
24-hydroxycholesterol | [no description available] | medium | 1 | 0 | 24-hydroxycholesterol | biomarker; human blood serum metabolite; mouse metabolite |
ilomastat | [no description available] | medium | 2 | 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 |
tanshinone ii a | [no description available] | medium | 2 | 0 | abietane diterpenoid | |
monensin | [no description available] | medium | 11 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
acetylleucyl-leucyl-norleucinal | [no description available] | medium | 2 | 0 | aldehyde; tripeptide | cysteine protease inhibitor |
trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
thapsigargin | [no description available] | medium | 22 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
aphidicolin | [no description available] | medium | 1 | 0 | tetracyclic diterpenoid | antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite |
gw9662 | [no description available] | medium | 1 | 0 | benzamides | |
caffeic acid phenethyl ester | [no description available] | medium | 1 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
sirolimus | [no description available] | medium | 6 | 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 |
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 |
cytochalasin b | [no description available] | medium | 38 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
cytochalasin d | [no description available] | medium | 2 | 0 | | |
latrunculin b | [no description available] | medium | 1 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
bafilomycin a1 | [no description available] | medium | 3 | 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 |
tanespimycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
ca 074 methyl ester | [no description available] | medium | 1 | 0 | | |
grayanotoxin iii | [no description available] | medium | 1 | 0 | | |
alpha-cyclopiazonic acid | [no description available] | medium | 2 | 0 | alpha-cyclopiazonic acids | |
antazoline | [no description available] | medium | 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 | 3 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
bromopride | [no description available] | medium | 1 | 0 | benzamides | |
bromperidol | [no description available] | medium | 2 | 0 | aromatic ketone | |
carbetapentane | [no description available] | medium | 1 | 0 | benzenes | |
chloroquine | [no description available] | medium | 15 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
citalopram | [no description available] | high | 6 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clebopride | [no description available] | medium | 1 | 0 | piperidines | |
clomiphene | [no description available] | medium | 5 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
cloperastine | [no description available] | medium | 1 | 0 | diarylmethane | |
diphenylpyraline | [no description available] | medium | 2 | 0 | piperidines; tertiary amine | cholinergic antagonist; H1-receptor antagonist |
domperidone | [no description available] | high | 5 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
donepezil | [no description available] | medium | 5 | 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 | 10 | 0 | diarylmethane | |
fipexide | [no description available] | medium | 5 | 0 | benzodioxoles | |
flavoxate | [no description available] | medium | 3 | 0 | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
alverine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug |
lofepramine | [no description available] | medium | 3 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
mebeverine | [no description available] | medium | 1 | 0 | methoxybenzoic acid | |
mecamylamine | [no description available] | medium | 3 | 0 | primary aliphatic amine | |
memantine | [no description available] | medium | 5 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
norfluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
orphenadrine | [no description available] | medium | 8 | 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 | 2 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
oxybutynin | [no description available] | medium | 4 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
oxymetazoline | [no description available] | medium | 1 | 0 | carboxamidine; imidazolines; phenols | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
oxyphencyclimine | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
perhexiline | [no description available] | medium | 10 | 0 | piperidines | cardiovascular drug |
pimethixene | [no description available] | medium | 1 | 0 | thioxanthenes | |
pipamperone | [no description available] | high | 1 | 0 | aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
pridinol | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol | antiparkinson drug; muscle relaxant |
procyclidine | [no description available] | medium | 9 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
procyclidine | [no description available] | medium | 9 | 1 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
sibutramine | [no description available] | medium | 2 | 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] | high | 15 | 1 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
sulpiride | [no description available] | high | 15 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
tofisopam | [no description available] | medium | 1 | 0 | organic molecular entity | |
xylometazoline | [no description available] | medium | 2 | 0 | alkylbenzene | |
camylofine | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
cycloheximide | [no description available] | medium | 22 | 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 | 5 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
penfluridol | [no description available] | medium | 8 | 0 | diarylmethane | |
penfluridol | [no description available] | medium | 8 | 2 | diarylmethane | |
flupirtine | [no description available] | medium | 1 | 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 | 3 | 0 | tetralins | T-type calcium channel blocker |
esreboxetine | [no description available] | medium | 1 | 0 | aromatic ether | |
lercanidipine | [no description available] | medium | 1 | 0 | diarylmethane | |
cloricromen | [no description available] | medium | 1 | 0 | coumarins | |
demecolcine | [no description available] | medium | 2 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
noscapine | [no description available] | medium | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
vinpocetine | [no description available] | medium | 2 | 0 | alkaloid | geroprotector |
harmine | [no description available] | medium | 3 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
triprolidine | [no description available] | medium | 4 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
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 |
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 |
gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
ethidium bromide | [no description available] | medium | 1 | 0 | organic bromide salt | geroprotector; intercalator; trypanocidal drug |
acridine orange | [no description available] | medium | 2 | 0 | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
miconazole | [no description available] | medium | 8 | 0 | dichlorobenzene; ether; imidazoles | |
4-nitroquinoline-1-oxide | [no description available] | medium | 1 | 0 | C-nitro compound; quinoline N-oxide | carcinogenic agent |
voriconazole | [no description available] | medium | 3 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
latrunculin a | [no description available] | medium | 2 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
tacrolimus | [no description available] | medium | 11 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
cerulenin | [no description available] | medium | 2 | 0 | epoxide; monocarboxylic acid amide | antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor |
ly 295337 | [no description available] | medium | 1 | 0 | | |
rhodamine 123 | [no description available] | medium | 1 | 0 | organic chloride salt; xanthene dye | fluorochrome |
thiethylperazine | [no description available] | high | 9 | 0 | N-methylpiperazine; phenothiazines | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
amineptin | [no description available] | medium | 4 | 0 | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
diethazine | [no description available] | medium | 2 | 0 | phenothiazines | |
methotrimeprazine | [no description available] | high | 35 | 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 |
1,10-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
clotrimazole | [no description available] | medium | 9 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
diphenyleneiodonium | [no description available] | medium | 3 | 0 | organic cation | |
niclosamide | [no description available] | medium | 2 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
vancomycin | [no description available] | medium | 5 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
streptomycin | [no description available] | medium | 8 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
methoctramine | [no description available] | medium | 1 | 0 | hydrochloride | muscarinic antagonist |
selenomethylselenocysteine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine | antineoplastic agent |
calmidazolium | [no description available] | medium | 2 | 0 | organic chloride salt | apoptosis inducer; calmodulin antagonist |
ly 367265 | [no description available] | medium | 1 | 0 | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor |
bay 11-7085 | [no description available] | medium | 1 | 0 | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
calcimycin | [no description available] | medium | 202 | 0 | benzoxazole | |
demeclocycline | [no description available] | medium | 2 | 0 | | |
aminooxyacetic acid | [no description available] | medium | 2 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
acetazolamide | [no description available] | medium | 8 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
aprindine | [no description available] | medium | 1 | 0 | indanes | |
bretylium | [no description available] | medium | 2 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
chlorpropamide | [no description available] | medium | 7 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 2 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
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 |
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 |
debrisoquin | [no description available] | medium | 2 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
3,4-dihydroxybenzohydroxamic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
dimercaprol | [no description available] | medium | 4 | 0 | dithiol; primary alcohol | chelator |
ethosuximide | [no description available] | medium | 6 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
ethyl loflazepate | [no description available] | medium | 1 | 0 | organic molecular entity | |
glutethimide | [no description available] | medium | 5 | 0 | piperidines | |
guanethidine | [no description available] | medium | 6 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
incadronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
nsc 664704 | [no description available] | medium | 1 | 0 | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
ketamine | [no description available] | medium | 7 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketanserin | [no description available] | medium | 1 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
lomustine | [no description available] | medium | 2 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
mazindol | [no description available] | medium | 1 | 0 | organic molecular entity | |
mechlorethamine | [no description available] | medium | 2 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
mephenytoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione | anticonvulsant |
methoxyamine | [no description available] | medium | 1 | 0 | organooxygen compound | |
nitroglycerin | [no description available] | medium | 4 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nomifensine | [no description available] | medium | 6 | 0 | isoquinolines | dopamine uptake inhibitor |
olomoucine | [no description available] | medium | 1 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
oxatomide | [no description available] | medium | 2 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
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 |
phenindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant |
phentermine | [no description available] | medium | 4 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
primaquine | [no description available] | medium | 5 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
pyrimethamine | [no description available] | medium | 5 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rabeprazole | [no description available] | medium | 2 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
risedronic acid | [no description available] | medium | 3 | 0 | pyridines | |
sulforaphane | [no description available] | medium | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
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 |
triamterene | [no description available] | medium | 3 | 0 | pteridines | diuretic; sodium channel blocker |
trimethoprim | [no description available] | medium | 7 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
paramethasone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
cetrimonium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
levodopa | [no description available] | medium | 13 | 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 |
fluocinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
sulfobromophthalein sodium | [no description available] | medium | 1 | 0 | organic sodium salt | dye |
pseudoephedrine | [no description available] | medium | 2 | 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 |
phenformin | [no description available] | medium | 2 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
sterogenol | [no description available] | medium | 1 | 0 | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
cycloguanil | [no description available] | medium | 2 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
medroxyprogesterone | [no description available] | medium | 2 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
sulfadoxine | [no description available] | medium | 2 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
pyrodifenium bromide | [no description available] | medium | 1 | 0 | organic molecular entity | |
amopyroquine | [no description available] | medium | 1 | 0 | | |
xipamide | [no description available] | medium | 1 | 0 | benzamides | |
benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
dexchlorpheniramine | [no description available] | medium | 2 | 0 | chlorphenamine | |
halofantrine | [no description available] | medium | 1 | 0 | phenanthrenes | |
hydroxymaprotilin | [no description available] | medium | 1 | 0 | | |
pinazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
butibufen | [no description available] | medium | 1 | 0 | monoterpenoid | |
piritrexim | [no description available] | medium | 1 | 0 | | |
bambuterol | [no description available] | medium | 3 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
ibandronic acid | [no description available] | medium | 2 | 0 | | |
trovafloxacin | [no description available] | medium | 5 | 0 | | |
ursolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
propamidine | [no description available] | medium | 1 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
sinefungin | [no description available] | medium | 1 | 0 | adenosines; non-proteinogenic alpha-amino acid | antifungal agent; antimicrobial agent |
droxicam | [no description available] | medium | 3 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
etofibrate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
synthalin a | [no description available] | medium | 1 | 0 | guanidines | hepatotoxic agent; hypoglycemic agent; nephrotoxin |
ibopamine | [no description available] | medium | 1 | 0 | benzoate ester; phenols | |
zoledronic acid | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
pirlindole | [no description available] | medium | 1 | 0 | carbazoles | |
artemether | [no description available] | medium | 2 | 0 | artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid | antimalarial |
6-amino-1-hydroxyhexane-1,1-diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
rexigen | [no description available] | medium | 1 | 0 | | |
aceclofenac | [no description available] | medium | 2 | 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 |
clociguanil | [no description available] | medium | 1 | 0 | | |
tebuquine | [no description available] | medium | 1 | 0 | | |
cryptolepine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate | [no description available] | medium | 1 | 0 | | |
desethylchloroquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
wr 159412 | [no description available] | medium | 1 | 0 | | |
cinchonidine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
benzyloxyamine | [no description available] | medium | 1 | 0 | | |
pyronaridine | [no description available] | medium | 2 | 0 | aminoquinoline | |
tafenoquine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound | |
desethylamodiaquine | [no description available] | medium | 1 | 0 | | |
n,n-dideethylchloroquine | [no description available] | medium | 1 | 0 | | |
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine | [no description available] | medium | 1 | 0 | | |
ne 58051 | [no description available] | medium | 1 | 0 | | |
wr 242511 | [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 |
deflazacort | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
olpadronic acid | [no description available] | medium | 1 | 0 | | |
lupeol | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory drug; plant metabolite |
neocryptolepine | [no description available] | medium | 1 | 0 | | |
1-hydroxypentane-1,1-bisphosphonate | [no description available] | medium | 1 | 0 | | |
cimadronate | [no description available] | medium | 1 | 0 | | |
1,1-hydroxyoctanodiphosphonate | [no description available] | medium | 1 | 0 | | |
oxytocin | [no description available] | medium | 6 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
digitoxin | [no description available] | medium | 3 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
canaline | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
Tetrahydropiperine | [no description available] | medium | 1 | 0 | benzodioxoles | |
carbenoxolone | [no description available] | medium | 1 | 0 | | |
piperine | [no description available] | medium | 1 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
ilepcimide | [no description available] | medium | 1 | 0 | benzodioxoles | |
leuprolide | [no description available] | medium | 1 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
octotropine methylbromide | [no description available] | medium | 2 | 0 | | |
artemotil | [no description available] | medium | 1 | 0 | artemisinin derivative | |
gestodene | [no description available] | medium | 1 | 0 | steroid | estrogen |
glucametacin | [no description available] | medium | 1 | 0 | | |
alsterpaullone | [no description available] | medium | 1 | 0 | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
usambarensine | [no description available] | medium | 1 | 0 | harmala alkaloid | |
cynarine | [no description available] | medium | 1 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
dihydrocodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
lacidipine | [no description available] | medium | 1 | 0 | cinnamate ester; tert-butyl ester | |
licochalcone a | [no description available] | medium | 1 | 0 | chalcones | |
stilbamidine | [no description available] | medium | 1 | 0 | | |
piperic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
proguanil | [no description available] | medium | 4 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
nifurtimox | [no description available] | medium | 1 | 0 | nitrofuran antibiotic | |
butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant; xenobiotic |
artesunate | [no description available] | medium | 2 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
chlorproguanil | [no description available] | medium | 1 | 0 | dichlorobenzene | |
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide | [no description available] | medium | 1 | 0 | | |
artenimol | [no description available] | medium | 1 | 0 | | |
4-phenoxyphenoxyethyl thiocyanate | [no description available] | medium | 1 | 0 | | |
diflucortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
deoxoartemisinin | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 1 | 0 | | |
valproate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | geroprotector |
butyrolactone i | [no description available] | medium | 1 | 0 | butenolide | |
ascorbic acid | [no description available] | medium | 7 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
oxytetracycline, anhydrous | [no description available] | medium | 3 | 0 | | |
rolitetracycline | [no description available] | medium | 1 | 0 | | |
thiolactomycin | [no description available] | medium | 1 | 0 | | |
3,4,5-trihydroxybenzamidoxime | [no description available] | medium | 1 | 0 | benzenetriol | |
ethylene glycol | [no description available] | medium | 2 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
inositol | [no description available] | medium | 2 | 0 | cyclitol; hexol | |
melatonin | [no description available] | medium | 9 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
niacin | [no description available] | medium | 5 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
pyrazinamide | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
pyridoxine | [no description available] | medium | 7 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | medium | 4 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2,4-dinitrophenol | [no description available] | medium | 6 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
3-methylcholanthrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
acetohexamide | [no description available] | medium | 2 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
albendazole | [no description available] | medium | 3 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
benzbromarone | [no description available] | medium | 5 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bithionol | [no description available] | medium | 2 | 0 | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
candesartan | [no description available] | medium | 4 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
chlorzoxazone | [no description available] | medium | 4 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
ciglitazone | [no description available] | medium | 2 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
cromolyn | [no description available] | medium | 3 | 0 | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker |
diethylcarbamazine | [no description available] | medium | 2 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | high | 6 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
fenofibrate | [no description available] | medium | 5 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
glafenine | [no description available] | medium | 5 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gliclazide | [no description available] | medium | 3 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
hexachlorophene | [no description available] | medium | 3 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
hycanthone | [no description available] | medium | 5 | 0 | thioxanthenes | mutagen; schistosomicide drug |
iproniazid | [no description available] | medium | 12 | 0 | carbohydrazide; pyridines | |
avapro | [no description available] | medium | 5 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
isocarboxazid | [no description available] | medium | 9 | 0 | benzenes | |
leflunomide | [no description available] | medium | 5 | 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 |
meclofenamate sodium anhydrous | [no description available] | medium | 2 | 0 | organic sodium salt | |
vitamin k 3 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
meprobamate | [no description available] | medium | 25 | 0 | organic molecular entity | |
meprobamate | [no description available] | medium | 25 | 2 | organic molecular entity | |
methapyrilene | [no description available] | medium | 4 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
nocodazole | [no description available] | medium | 5 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
metolazone | [no description available] | medium | 4 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
nimesulide | [no description available] | medium | 4 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
oxibendazole | [no description available] | medium | 3 | 0 | benzimidazoles; carbamate ester | |
4-dichlorobenzene | [no description available] | medium | 2 | 0 | dichlorobenzene | insecticide |
pargyline | [no description available] | medium | 11 | 0 | aromatic amine | |
pinacidil | [no description available] | medium | 4 | 0 | pyridines | |
pioglitazone | [no description available] | medium | 6 | 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 |
probucol | [no description available] | medium | 5 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
sulfamethizole | [no description available] | medium | 4 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
gatifloxacin | [no description available] | medium | 2 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
tolazamide | [no description available] | medium | 4 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolmetin | [no description available] | medium | 4 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
troglitazone | [no description available] | medium | 6 | 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 |
pirinixic acid | [no description available] | medium | 2 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
oxyphenonium | [no description available] | medium | 3 | 0 | acylcholine | |
cephaloridine | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
sorbitol | [no description available] | medium | 7 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
isoproterenol hydrochloride | [no description available] | medium | 2 | 0 | catechols | |
promazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
2-acetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
idoxuridine | [no description available] | medium | 4 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
carbon tetrachloride | [no description available] | medium | 3 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
physostigmine | [no description available] | medium | 8 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
promethazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
acetylcholine chloride | [no description available] | medium | 3 | 0 | quaternary ammonium salt | |
methoxamine hydrochloride | [no description available] | medium | 2 | 0 | dimethoxybenzene | |
dimethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | geroprotector; mutagen |
lactose | [no description available] | medium | 5 | 0 | lactose | |
primaquine phosphate | [no description available] | medium | 2 | 0 | | |
colchicine | [no description available] | medium | 37 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
gallamine triethiodide | [no description available] | medium | 2 | 0 | | |
uracil mustard | [no description available] | medium | 2 | 0 | aminouracil; nitrogen mustard | |
dimethylformamide | [no description available] | medium | 1 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
arginine | [no description available] | medium | 15 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
tromethamine | [no description available] | medium | 4 | 0 | primary amino compound; triol | buffer |
rotenone | [no description available] | medium | 9 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
isosorbide dinitrate | [no description available] | medium | 4 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
hexachlorobutadiene | [no description available] | medium | 1 | 0 | organochlorine compound | |
2-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | marine metabolite |
3-dinitrobenzene | [no description available] | medium | 2 | 0 | dinitrobenzene | neurotoxin |
pyridostigmine bromide | [no description available] | medium | 3 | 0 | pyridinium salt | |
4,4'-diaminodiphenylmethane | [no description available] | medium | 2 | 0 | aromatic amine | allergen; carcinogenic agent |
phenylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | allergen; reagent |
2-bromoethylamine | [no description available] | medium | 2 | 0 | | |
allyl alcohol | [no description available] | medium | 3 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
imipramine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant |
mephobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant |
edrophonium chloride | [no description available] | medium | 2 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
di-n-pentyl phthalate | [no description available] | medium | 2 | 0 | diester; phthalate ester | plasticiser |
cinchophen | [no description available] | medium | 5 | 0 | quinolines | |
phenazopyridine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
tetrracaine hydrochloride | [no description available] | medium | 2 | 0 | benzoate ester | |
diphenhydramine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
tripelennamine hydrochloride | [no description available] | medium | 2 | 0 | | |
ethynodiol diacetate | [no description available] | medium | 3 | 0 | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
hydrazine | [no description available] | medium | 6 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
monocrotaline | [no description available] | medium | 3 | 0 | pyrrolizidine alkaloid | |
pseudoephedrine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | plant metabolite |
procarbazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
cyproterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
amitriptyline hydrochloride | [no description available] | medium | 2 | 0 | organic tricyclic compound | |
1-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | insecticide |
isoxsuprine hydrochloride | [no description available] | medium | 2 | 0 | alkylbenzene | |
betaine hydrochloride | [no description available] | medium | 2 | 0 | | |
3-hydroxyacetanilide | [no description available] | medium | 2 | 0 | acetamides; phenols | non-narcotic analgesic |
methoxyacetic acid | [no description available] | medium | 2 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 2 | 0 | hydrochloride | |
pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
ibufenac | [no description available] | medium | 4 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2,3,7,8-tetrachlorodibenzodioxine | [no description available] | medium | 1 | 0 | polychlorinated dibenzodioxine | |
paraquat | [no description available] | medium | 3 | 0 | organic cation | geroprotector; herbicide |
clonidine hydrochloride | [no description available] | medium | 2 | 0 | dichlorobenzene | |
ethylene dimethanesulfonate | [no description available] | medium | 2 | 0 | | |
mexiletine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
beclomethasone dipropionate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester | anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug |
vidarabine | [no description available] | medium | 3 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
metoclopramide hydrochloride | [no description available] | medium | 2 | 0 | | |
carbendazim | [no description available] | medium | 2 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
ethionine | [no description available] | medium | 2 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
disopyramide phosphate | [no description available] | medium | 2 | 0 | organoammonium phosphate | |
moricizine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
pirprofen | [no description available] | medium | 4 | 0 | pyrroline | |
serentil | [no description available] | medium | 2 | 0 | organosulfonate salt | dopaminergic antagonist; first generation antipsychotic |
propafenone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
carbidopa | [no description available] | medium | 3 | 0 | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
cephradine | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
ticrynafen | [no description available] | medium | 4 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
bezafibrate | [no description available] | medium | 4 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
nonachlazine | [no description available] | medium | 1 | 0 | | |
flecainide acetate | [no description available] | medium | 2 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 2 | 0 | dihydropyridine | geroprotector |
indacrinone | [no description available] | medium | 2 | 0 | | |
butoconazole nitrate | [no description available] | medium | 2 | 0 | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
fialuridine | [no description available] | medium | 4 | 0 | | |
mitoxantrone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
atomoxetine | [no description available] | medium | 3 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
alpidem | [no description available] | medium | 6 | 0 | imidazoles | |
temafloxacin | [no description available] | medium | 2 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound | |
clinafloxacin | [no description available] | medium | 2 | 0 | quinolines | |
bromfenac | [no description available] | medium | 4 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
tasosartan | [no description available] | medium | 4 | 0 | biphenyls | |
saquinavir monomethanesulfonate | [no description available] | medium | 2 | 0 | organic molecular entity | |
allyl formate | [no description available] | medium | 2 | 0 | | |
desferrioxamine b mesylate | [no description available] | medium | 2 | 0 | methanesulfonate salt | antidote; ferroptosis inhibitor; iron chelator |
bupropion hydrochloride | [no description available] | medium | 2 | 0 | aromatic ketone | |
trazodone hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
verapamil hydrochloride | [no description available] | medium | 3 | 0 | | |
ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 2 | 0 | hydrochloride | antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
amantadine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
dobutamine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 2 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | |
telmisartan | [no description available] | medium | 5 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
trimethobenzamide monohydrochloride | [no description available] | medium | 2 | 0 | | |
amiloride hydrochloride | [no description available] | medium | 2 | 0 | hydrate | diuretic; sodium channel blocker |
econazole nitrate | [no description available] | medium | 2 | 0 | | |
lomefloxacin hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent |
flunoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; monocarboxylic acid; organofluorine compound | antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist |
tianeptine | [no description available] | medium | 2 | 0 | dibenzothiazepine; monocarboxylic acid; organochlorine compound | |
loperamide hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
grepafloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
2-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | | |
rosiglitazone | [no description available] | medium | 5 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
chloroquine diphosphate | [no description available] | medium | 2 | 0 | | |
orphenadrine citrate | [no description available] | medium | 2 | 0 | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
ketorolac tromethamine | [no description available] | medium | 2 | 0 | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 2 | 0 | pyrrolidines | |
phentolamine mesylate | [no description available] | medium | 2 | 0 | | |
oxybutynin hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
1-cyano-2-hydroxy-3-butene | [no description available] | medium | 1 | 0 | secondary alcohol | |
cordium | [no description available] | medium | 2 | 0 | hydrate; hydrochloride | |
bosentan anhydrous | [no description available] | medium | 6 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
nsc-141549 | [no description available] | medium | 2 | 0 | | |
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 |
aflatoxin b1 | [no description available] | medium | 2 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
fludrocortisone acetate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone | |
vincristine sulfate | [no description available] | medium | 2 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
acivicin | [no description available] | medium | 2 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
glucosamine | [no description available] | medium | 3 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
puromycin | [no description available] | medium | 3 | 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 |
moxalactam disodium | [no description available] | medium | 2 | 0 | | |
abacavir | [no description available] | medium | 5 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
mometasone furoate | [no description available] | medium | 2 | 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 |
nortriptyline hydrochloride | [no description available] | medium | 2 | 0 | organic tricyclic compound | geroprotector |
erythromycin estolate | [no description available] | medium | 3 | 0 | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
kanamycin sulfate | [no description available] | medium | 2 | 0 | aminoglycoside sulfate salt | antibacterial drug; geroprotector |
paromomycin sulfate | [no description available] | medium | 2 | 0 | | |
chloramphenicol palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | |
calcium pantothenate | [no description available] | medium | 2 | 0 | polymer | |
doxorubicin hydrochloride | [no description available] | medium | 2 | 0 | anthracycline | |
maleic acid | [no description available] | medium | 2 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
cyanoginosin lr | [no description available] | medium | 2 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
cerivastatin | [no description available] | medium | 3 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
drf 2725 | [no description available] | medium | 2 | 0 | | |
azaserine | [no description available] | medium | 2 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
sodium bicarbonate | [no description available] | medium | 2 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
arsenic trioxide | [no description available] | medium | 3 | 0 | arsenic oxide | antineoplastic agent; insecticide |
idarubicin hydrochloride | [no description available] | medium | 2 | 0 | anthracycline | |
carbenoxolone sodium | [no description available] | medium | 3 | 0 | triterpenoid | |
methimazole | [no description available] | medium | 5 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
capsaicin | [no description available] | medium | 6 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
(1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
thioacetamide | [no description available] | medium | 2 | 0 | thiocarboxamide | hepatotoxic agent |
hmr 3647 | [no description available] | medium | 4 | 0 | | |
tolcapone | [no description available] | medium | 6 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
retinol palmitate | [no description available] | medium | 2 | 0 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
eprosartan | [no description available] | medium | 4 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
montelukast | [no description available] | medium | 4 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
timolol maleate | [no description available] | medium | 2 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 2 | 0 | maleate salt | anti-allergic agent |
chlorpheniramine maleate | [no description available] | medium | 2 | 0 | organic molecular entity | |
clemastine fumarate | [no description available] | medium | 2 | 0 | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
methylergonovine maleate | [no description available] | medium | 2 | 0 | ergoline alkaloid | geroprotector |
entacapone | [no description available] | medium | 5 | 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 |
estradiol-17 beta-glucuronide | [no description available] | medium | 2 | 0 | 3-hydroxy steroid; steroid glucosiduronic acid | |
cis-flupenthixol dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
phenoxybenzamine hydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
acitretin | [no description available] | medium | 4 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
furazolidone | [no description available] | medium | 2 | 0 | | |
octylmethoxycinnamate | [no description available] | medium | 2 | 0 | cinnamate ester | |
vinblastine sulfate | [no description available] | medium | 2 | 0 | | |
trientine hydrochloride | [no description available] | medium | 3 | 0 | | |
dextromethorphan hydrobromide | [no description available] | medium | 2 | 0 | hydrate; hydrobromide | |
fenoterol | [no description available] | medium | 2 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
enclomiphene citrate | [no description available] | medium | 1 | 0 | | |
diphenoxylate hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidiarrhoeal drug |
ergonovine maleate | [no description available] | medium | 2 | 0 | maleate salt | diagnostic agent; oxytocic |
dantrolene sodium | [no description available] | medium | 2 | 0 | | |
ursodoxicoltaurine | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent |
molindone hydrochloride | [no description available] | medium | 2 | 0 | indoles | |
gentamicin sulfate | [no description available] | medium | 1 | 0 | | |
baci-im | [no description available] | medium | 4 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
cytidine diphosphate choline | [no description available] | medium | 2 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
clindamycin hydrochloride | [no description available] | medium | 2 | 0 | S-glycosyl compound | |
quinine sulfate | [no description available] | medium | 2 | 0 | hydrate | |
cefotiam hydrochloride | [no description available] | medium | 2 | 0 | | |
potassium aminobenzoate | [no description available] | medium | 2 | 0 | | |
methicillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
nafcillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
penicillin g sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
cefamandole nafate | [no description available] | medium | 2 | 0 | organic sodium salt | antibacterial drug |
cephapirin sodium | [no description available] | medium | 2 | 0 | cephalosporin; organic sodium salt | antibacterial drug |
sodium cephalothin | [no description available] | medium | 2 | 0 | organic sodium salt | |
dicloxacillin sodium | [no description available] | medium | 2 | 0 | hydrate | |
azlocillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
acenocoumarol | [no description available] | medium | 2 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
isoxicam | [no description available] | medium | 2 | 0 | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
chlortetracycline hydrochloride | [no description available] | medium | 2 | 0 | | |
methacycline monohydrochloride | [no description available] | medium | 2 | 0 | | |
minocycline hydrochloride | [no description available] | medium | 2 | 0 | | |
demeclocycline hydrochloride | [no description available] | medium | 2 | 0 | | |
folic acid | [no description available] | medium | 7 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
dacarbazine | [no description available] | medium | 5 | 0 | dacarbazine | |
citrovorum factor | [no description available] | medium | 3 | 0 | tetrahydrofolic acid | |
celecoxib | [no description available] | medium | 3 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
sulfobromophthalein | [no description available] | medium | 3 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
telenzepine | [no description available] | medium | 2 | 0 | benzodiazepine | |
temozolomide | [no description available] | medium | 3 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant; herbicide |
n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
tolrestat | [no description available] | medium | 4 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
gefitinib | [no description available] | medium | 4 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
cox 189 | [no description available] | medium | 3 | 0 | amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
olmesartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
lapatinib | [no description available] | medium | 5 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
taurolithocholic acid | [no description available] | medium | 2 | 0 | bile acid taurine conjugate; monocarboxylic acid amide | human metabolite |
indinavir sulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt | |
ximelagatran | [no description available] | medium | 3 | 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 |
ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
mobic | [no description available] | medium | 3 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
sudoxicam | [no description available] | medium | 1 | 0 | | |
imatinib | [no description available] | medium | 6 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
n,n'-bis(2-hydroxybenzyl)ethylenediamine-n,n'-diacetic acid | [no description available] | medium | 1 | 0 | | |
nelfinavir | [no description available] | medium | 4 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
amprenavir | [no description available] | medium | 4 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
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 |
carisoprodol | [no description available] | medium | 3 | 0 | carbamate ester | muscle relaxant |
shamixanthone | [no description available] | medium | 1 | 0 | cyclic ketone; phenols; pyranoxanthene | metabolite |
betaine | [no description available] | medium | 4 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
ethanolamine | [no description available] | medium | 2 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
alaproclate | [no description available] | medium | 2 | 0 | alpha-amino acid ester | |
bendazac | [no description available] | medium | 2 | 0 | indazoles; monocarboxylic acid | non-steroidal anti-inflammatory drug; radical scavenger |
bethanechol | [no description available] | medium | 4 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
carbinoxamine | [no description available] | medium | 3 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
cyclofenil | [no description available] | medium | 2 | 0 | organic molecular entity | |
deferoxamine | [no description available] | medium | 10 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
isoproterenol | [no description available] | medium | 43 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
meclizine | [no description available] | medium | 6 | 0 | diarylmethane | |
metaproterenol | [no description available] | medium | 3 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
metyrapone | [no description available] | medium | 3 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
moxisylyte | [no description available] | medium | 2 | 0 | monoterpenoid | |
nialamide | [no description available] | medium | 8 | 0 | organonitrogen compound; organooxygen compound | |
succinylcholine | [no description available] | medium | 5 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
sulfamethoxazole | [no description available] | medium | 2 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
tranexamic acid | [no description available] | medium | 2 | 0 | amino acid | |
mitomycin | [no description available] | medium | 2 | 0 | mitomycin | alkylating agent; antineoplastic agent |
prednisolone | [no description available] | medium | 3 | 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 |
oxandrolone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
kanamycin a | [no description available] | medium | 2 | 0 | kanamycins | bacterial metabolite |
mebanazine | [no description available] | medium | 2 | 0 | benzenes | |
benziodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
benzonatate | [no description available] | medium | 3 | 0 | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive |
framycetin | [no description available] | medium | 9 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
edrophonium bromide | [no description available] | medium | 1 | 0 | | |
dihydroergotamine | [no description available] | medium | 2 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
lactulose | [no description available] | medium | 2 | 0 | glycosylfructose | gastrointestinal drug; laxative |
isosorbide | [no description available] | medium | 1 | 0 | organic molecular entity | |
clomacran | [no description available] | medium | 3 | 0 | acridines | |
clomacran | [no description available] | medium | 3 | 1 | acridines | |
clemastine | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
cromolyn sodium | [no description available] | medium | 1 | 0 | organic sodium salt | anti-asthmatic drug; drug allergen |
fenclozic acid | [no description available] | medium | 3 | 0 | | |
laxagetten 4,4'-diacetoxydiphenylpyridylemethane | [no description available] | medium | 2 | 0 | | |
alclofenac | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
oxyphenisatin | [no description available] | medium | 2 | 0 | indoles | |
clometacin | [no description available] | medium | 2 | 0 | N-acylindole | |
exifone | [no description available] | medium | 2 | 0 | benzophenones | |
oseltamivir | [no description available] | medium | 3 | 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 |
tilbroquinol | [no description available] | medium | 2 | 0 | organohalogen compound; quinolines | |
ebrotidine | [no description available] | medium | 2 | 0 | sulfonamide | |
isaxonine | [no description available] | medium | 2 | 0 | aminopyrimidine | |
fenoxypropazine | [no description available] | medium | 2 | 0 | aromatic ether | |
nitrefazole | [no description available] | medium | 2 | 0 | imidazoles | |
tamsulosin | [no description available] | medium | 2 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
pralnacasan | [no description available] | medium | 2 | 0 | | |
paromomycin | [no description available] | medium | 3 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
fiduxosin | [no description available] | medium | 2 | 0 | | |
deferasirox | [no description available] | medium | 2 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
benzarone | [no description available] | medium | 2 | 0 | 1-benzofurans | |
tenofovir | [no description available] | medium | 3 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
aplaviroc | [no description available] | medium | 2 | 0 | | |
maraviroc | [no description available] | medium | 2 | 0 | tropane alkaloid | |
toremifene | [no description available] | medium | 3 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
orlistat | [no description available] | medium | 3 | 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 |
alatrofloxacin | [no description available] | medium | 1 | 0 | | |
oxymetholone | [no description available] | medium | 2 | 0 | | |
benzphetamine | [no description available] | medium | 2 | 0 | amphetamines; tertiary amine | adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent |
su 11248 | [no description available] | medium | 3 | 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 |
pafuramidine | [no description available] | medium | 2 | 0 | | |
lu 208075 | [no description available] | medium | 2 | 0 | diarylmethane | |
bibx 1382bs | [no description available] | medium | 2 | 0 | substituted aniline | |
chlorhexidine | [no description available] | medium | 3 | 0 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
pazopanib | [no description available] | medium | 2 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
tipranavir | [no description available] | medium | 3 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
amg531 | [no description available] | medium | 1 | 0 | | |
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid | [no description available] | medium | 1 | 0 | | |
2-imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-1-(3-pyridinylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
4,5-dimethoxy-2-nitrobenzaldehyde | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound | |
schizandrin b | [no description available] | medium | 1 | 0 | | |
wortmannin | [no description available] | medium | 3 | 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 |
nu 6027 | [no description available] | medium | 1 | 0 | | |
ku 55933 | [no description available] | medium | 1 | 0 | | |
ic 86621 | [no description available] | medium | 1 | 0 | aromatic ketone | |
nu 7441 | [no description available] | medium | 1 | 0 | dibenzothiophenes | |
ku-0060648 | [no description available] | medium | 1 | 0 | dibenzothiophenes | |
ve 821 | [no description available] | medium | 1 | 0 | aromatic amide | |
carnitine | [no description available] | medium | 3 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
coumarin | [no description available] | medium | 2 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
guaiacol | [no description available] | medium | 2 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
histamine | [no description available] | medium | 18 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
histamine | [no description available] | medium | 18 | 1 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
enprofylline | [no description available] | medium | 3 | 0 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
acetarsol | [no description available] | medium | 1 | 0 | acetamides; anilide | |
ethacridine | [no description available] | medium | 1 | 0 | acridines | |
4-(acetylamino)benzeneacetic acid | [no description available] | medium | 1 | 0 | acetamides; anilide | |
adiphenine | [no description available] | medium | 1 | 0 | diarylmethane | |
aklomide | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
p-aminohippuric acid | [no description available] | medium | 4 | 0 | N-acylglycine | Daphnia magna metabolite |
amodiaquine | [no description available] | medium | 2 | 0 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
amprolium | [no description available] | medium | 1 | 0 | pyridinium ion | coccidiostat |
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
arecoline | [no description available] | medium | 2 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
bendroflumethiazide | [no description available] | medium | 3 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benserazide | [no description available] | medium | 1 | 0 | carbohydrazide; catechols; primary alcohol; primary amino compound | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
bisacodyl | [no description available] | medium | 3 | 0 | diarylmethane | |
seratrodast | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbamylcholine | [no description available] | medium | 1 | 0 | | |
chloroxylenol | [no description available] | medium | 2 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
aricine | [no description available] | medium | 1 | 0 | cinchona alkaloid | |
cloxyquin | [no description available] | medium | 1 | 0 | organochlorine compound; quinolines | |
cyclandelate | [no description available] | medium | 1 | 0 | carboxylic ester; secondary alcohol | vasodilator agent |
dibenzothiophene | [no description available] | medium | 1 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
dichlorphenamide | [no description available] | medium | 2 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
dilacor xr | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound | |
dimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | |
dyclonine | [no description available] | medium | 1 | 0 | aromatic ketone; piperidines | topical anaesthetic |
dyphylline | [no description available] | medium | 2 | 0 | oxopurine; propane-1,2-diols | bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent |
ebselen | [no description available] | medium | 2 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
profenamine | [no description available] | medium | 2 | 0 | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist |
ethotoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant |
fenoldopam | [no description available] | high | 3 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
guaifenesin | [no description available] | medium | 2 | 0 | methoxybenzenes | |
hexoprenaline | [no description available] | medium | 1 | 0 | | |
hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
hydralazine | [no description available] | medium | 4 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydroflumethiazide | [no description available] | medium | 3 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
isoetharine | [no description available] | medium | 1 | 0 | catecholamine | |
isoxsuprine | [no description available] | medium | 2 | 0 | alkylbenzene | |
letrozole | [no description available] | medium | 2 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
ly 171883 | [no description available] | medium | 1 | 0 | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist |
mephenesin | [no description available] | medium | 1 | 0 | aromatic ether; glycerol ether | |
methocarbamol | [no description available] | medium | 3 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
mitotane | [no description available] | medium | 2 | 0 | diarylmethane | |
acecainide | [no description available] | medium | 1 | 0 | acetamides; benzamides | anti-arrhythmia drug |
nadolol | [no description available] | medium | 2 | 0 | tetralins | |
nafronyl | [no description available] | medium | 1 | 0 | naphthalenes | |
naftopidil | [no description available] | medium | 1 | 0 | piperazines | |
naphazoline | [no description available] | medium | 1 | 0 | naphthalenes | |
neostigmine | [no description available] | medium | 2 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
nilvadipine | [no description available] | medium | 1 | 0 | dihydropyridine; isopropyl ester; methyl ester; nitrile | |
nitromide | [no description available] | medium | 1 | 0 | | |
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | [no description available] | medium | 1 | 0 | isoquinolines | |
nylidrin | [no description available] | medium | 1 | 0 | alkylbenzene | |
phenacemide | [no description available] | medium | 1 | 0 | acetamides | |
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | [no description available] | medium | 1 | 0 | pyrroloindole | |
piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
pirenzepine | [no description available] | medium | 2 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
piretanide | [no description available] | medium | 1 | 0 | aromatic ether | |
duodote | [no description available] | medium | 2 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
rofecoxib | [no description available] | medium | 1 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
roxarsone | [no description available] | medium | 1 | 0 | 2-nitrophenols; organoarsonic acid | agrochemical; animal growth promotant; antibacterial drug; coccidiostat |
salicylsalicylic acid | [no description available] | medium | 2 | 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 |
succinylsulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles | |
sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
tetrahydroxy-1,4-quinone | [no description available] | medium | 1 | 0 | hydroxybenzoquinone | keratolytic drug |
thalidomide | [no description available] | medium | 7 | 0 | phthalimides; piperidones | |
thiabendazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
2-thiosalicylic acid | [no description available] | medium | 1 | 0 | sulfanylbenzoic acid | antipyretic; non-narcotic analgesic |
tolazoline | [no description available] | medium | 1 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
trimebutine | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
trioxsalen | [no description available] | medium | 1 | 0 | psoralens | dermatologic drug; photosensitizing agent |
tropicamide | [no description available] | medium | 1 | 0 | acetamides | |
tulobuterol | [no description available] | medium | 1 | 0 | organochlorine compound | |
urapidil | [no description available] | medium | 1 | 0 | piperazines | |
urethane | [no description available] | medium | 2 | 0 | carbamate ester | fungal metabolite; mutagen |
xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
penicillin g | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
pentylenetetrazole | [no description available] | medium | 8 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
pentylenetetrazole | [no description available] | medium | 8 | 1 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
apomorphine | [no description available] | medium | 35 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
ethopabate | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
cysteamine | [no description available] | medium | 2 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
methoxamine | [no description available] | medium | 1 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
cloxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
zoxazolamine | [no description available] | medium | 3 | 0 | benzoxazole | |
berlition | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
cycloserine | [no description available] | medium | 2 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
mepenzolate bromide | [no description available] | medium | 1 | 0 | diarylmethane | |
pantothenic acid | [no description available] | medium | 1 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
sulfachlorpyridazine | [no description available] | medium | 1 | 0 | organochlorine compound; pyridazines; sulfonamide | antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
phensuximide | [no description available] | medium | 1 | 0 | pyrrolidines | |
synephrine | [no description available] | medium | 1 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
chloroprocaine | [no description available] | medium | 1 | 0 | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug |
propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
fluorometholone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
dihydralazine | [no description available] | medium | 1 | 0 | phthalazines | |
dimenhydrinate | [no description available] | medium | 3 | 0 | diarylmethane | |
4-(benzoylamino)-2-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
trimetozine | [no description available] | medium | 1 | 0 | morpholines | |
docosanol | [no description available] | medium | 1 | 0 | docosanol; long-chain primary fatty alcohol | antiviral drug; plant metabolite |
tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
flurandrenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
amiloride | [no description available] | medium | 25 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
flumethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
floxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
(1S,2R)-tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
parbendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
metergoline | [no description available] | medium | 1 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
capobenic acid | [no description available] | medium | 1 | 0 | benzamides | |
diftalone | [no description available] | medium | 1 | 0 | | |
carbimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
rose bengal b disodium salt | [no description available] | medium | 1 | 0 | | |
carbidopa | [no description available] | medium | 2 | 0 | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
indalpine | [no description available] | medium | 1 | 0 | indoles | |
lidamidine | [no description available] | medium | 1 | 0 | ureas | |
talniflumate | [no description available] | medium | 1 | 0 | benzofurans | |
dazoxiben | [no description available] | medium | 1 | 0 | | |
remoxipride | [no description available] | medium | 3 | 0 | dimethoxybenzene | |
dopexamine | [no description available] | medium | 1 | 0 | catecholamine | |
lonapalene | [no description available] | medium | 1 | 0 | naphthalenes; organochlorine compound | |
ipsapirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
sematilide | [no description available] | medium | 1 | 0 | | |
remacemide | [no description available] | medium | 1 | 0 | stilbenoid | |
paroxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
proxicromil | [no description available] | medium | 1 | 0 | | |
torbafylline | [no description available] | medium | 1 | 0 | | |
enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
uk 68798 | [no description available] | medium | 2 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
mepindolol | [no description available] | medium | 1 | 0 | indoles | |
fpl 52791 | [no description available] | medium | 1 | 0 | | |
epanolol | [no description available] | medium | 1 | 0 | acetamides | |
levcromakalim | [no description available] | medium | 1 | 0 | 1-benzopyran | |
hexylcaine hydrochloride | [no description available] | medium | 1 | 0 | | |
imipenem, anhydrous | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
fpl 55712 | [no description available] | medium | 1 | 0 | aromatic ketone | |
sivelestat | [no description available] | medium | 2 | 0 | N-acylglycine; pivalate ester | |
fpl-52694 | [no description available] | medium | 1 | 0 | | |
ramatroban | [no description available] | medium | 1 | 0 | organic molecular entity | |
xaliproden | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine | serotonergic agonist |
n-isobutyrylcysteine | [no description available] | medium | 1 | 0 | | |
dexpanthenol | [no description available] | medium | 2 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
quilostigmine | [no description available] | medium | 1 | 0 | pyrroloindole | |
imiloxan | [no description available] | medium | 1 | 0 | benzodioxine | |
aspartame | [no description available] | medium | 1 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
tempol | [no description available] | medium | 1 | 0 | aminoxyls; hydroxypiperidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger |
vatalanib | [no description available] | medium | 1 | 0 | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
moxifloxacin | [no description available] | medium | 2 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
clevidipine | [no description available] | medium | 2 | 0 | dihydropyridine | |
hyoscyamine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
lactitol | [no description available] | medium | 1 | 0 | glycosyl alditol | cathartic; excipient; laxative |
fpl 52757 | [no description available] | medium | 1 | 0 | | |
fpl 59257 | [no description available] | medium | 1 | 0 | | |
erlotinib | [no description available] | medium | 3 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
zeneca zd 6169 | [no description available] | medium | 1 | 0 | | |
sibenadet | [no description available] | medium | 1 | 0 | | |
latrepirdine | [no description available] | medium | 1 | 0 | methylpyridines; pyridoindole | geroprotector |
ramelteon | [no description available] | medium | 2 | 0 | indanes | |
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 |
cortisone | [no description available] | medium | 2 | 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 |
phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
ouabain | [no description available] | medium | 22 | 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 |
salicin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
linezolid | [no description available] | high | 4 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
(S)-bicalutamide | [no description available] | medium | 1 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | |
devazepide | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
halcinonide | [no description available] | medium | 1 | 0 | organic molecular entity | SMO receptor agonist |
metrizamide | [no description available] | medium | 1 | 0 | amino sugar | |
methylthiouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
crotamiton | [no description available] | medium | 1 | 0 | | |
scopolamine | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid | |
ranitidine | [no description available] | medium | 3 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
almokalant | [no description available] | medium | 1 | 0 | | |
vx-745 | [no description available] | medium | 1 | 0 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
deracoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dasatinib | [no description available] | medium | 3 | 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 |
2-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | |
rs-130830 | [no description available] | medium | 1 | 0 | | |
sitagliptin | [no description available] | medium | 3 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
vitamin k semiquinone radical | [no description available] | medium | 4 | 0 | | |
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 |
pheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
homatropine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
levetiracetam | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
ar c67085mx | [no description available] | medium | 1 | 0 | | |
desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
sb 223412 | [no description available] | medium | 1 | 0 | | |
enalaprilat anhydrous | [no description available] | medium | 2 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
tiotropium | [no description available] | medium | 1 | 0 | | |
nw 1029 | [no description available] | medium | 1 | 0 | | |
ici d1542 | [no description available] | medium | 1 | 0 | | |
gavestinel | [no description available] | medium | 1 | 0 | | |
tipredane | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
bentiromide | [no description available] | medium | 1 | 0 | dipeptide | diagnostic agent; indicator; reagent |
gemifloxacin | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
utibapril | [no description available] | medium | 1 | 0 | | |
zd 9379 | [no description available] | medium | 1 | 0 | | |
ly 450139 | [no description available] | medium | 2 | 0 | peptide | |
cangrelor | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound | P2Y12 receptor antagonist; platelet aggregation inhibitor |
sch 527123 | [no description available] | medium | 1 | 0 | | |
linaprazan | [no description available] | medium | 1 | 0 | | |
lecozotan | [no description available] | medium | 1 | 0 | | |
ar c155858 | [no description available] | medium | 1 | 0 | | |
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | [no description available] | medium | 1 | 0 | methoxybenzenes; substituted aniline | |
azd 7545 | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent |
clavulanate potassium | [no description available] | medium | 1 | 0 | potassium salt | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
cytomel | [no description available] | medium | 1 | 0 | organic sodium salt | |
a 967079 | [no description available] | medium | 1 | 0 | | |
pht 427 | [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 |
sildenafil | [no description available] | medium | 2 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
leucovorin | [no description available] | medium | 2 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
carbadox | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
fenobam | [no description available] | medium | 1 | 0 | ureas | |
clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid | anti-inflammatory drug |
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 |
etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
cp 724714 | [no description available] | medium | 1 | 0 | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 7 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
trifluoromethylphenothiazine | [no description available] | medium | 1 | 0 | phenothiazines | |
chloroxine | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organochlorine compound | antibacterial agent; antifungal drug; antiseborrheic |
trans-1,4-bis(2-chlorobenzaminomethyl)cyclohexane dihydrochloride | [no description available] | medium | 1 | 0 | | |
levormeloxifene | [no description available] | medium | 1 | 0 | | |
mevastatin | [no description available] | medium | 3 | 0 | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite |
artemisinin | [no description available] | medium | 4 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
fulvestrant | [no description available] | high | 3 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
bazedoxifene | [no description available] | medium | 1 | 0 | phenylindole | |
lasofoxifene | [no description available] | medium | 1 | 0 | aromatic ether; N-alkylpyrrolidine; naphthols; tetralins | antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist |
pitavastatin | [no description available] | medium | 2 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
tan 67 | [no description available] | medium | 1 | 0 | quinolines | |
alfuzosin | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
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 |
secbutabarbital | [no description available] | medium | 1 | 0 | barbiturates | |
chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlorcyclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
chlorothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
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 | 6 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
amphetamine | [no description available] | medium | 32 | 0 | primary amine | |
amphetamine | [no description available] | medium | 32 | 1 | primary amine | |
pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
doxapram | [no description available] | medium | 3 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
edrophonium | [no description available] | medium | 1 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
flurazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
fomepizole | [no description available] | medium | 1 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | medium | 1 | 0 | benzenes | |
guanidine | [no description available] | medium | 2 | 0 | carboxamidine; guanidines; one-carbon compound | |
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 |
mepenzolate | [no description available] | medium | 1 | 0 | diarylmethane | |
methadone | [no description available] | medium | 5 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
methadone | [no description available] | medium | 5 | 1 | benzenes; diarylmethane; ketone; tertiary amino compound | |
methazolamide | [no description available] | medium | 2 | 0 | sulfonamide; thiadiazoles | |
methoxsalen | [no description available] | medium | 2 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
methyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | |
milrinone | [no description available] | medium | 2 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
modafinil | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfoxide | |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
polythiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | |
propantheline | [no description available] | medium | 2 | 0 | xanthenes | |
pyridostigmine | [no description available] | medium | 1 | 0 | pyridinium ion | |
rizatriptan | [no description available] | medium | 1 | 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 |
vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
trimethobenzamide | [no description available] | medium | 2 | 0 | benzamides; tertiary amino compound | antiemetic |
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 |
delavirdine | [no description available] | medium | 2 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
vigabatrin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) 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 |
cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
dextroamphetamine | [no description available] | medium | 22 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
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 |
glutamine | [no description available] | medium | 3 | 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 |
methyltestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
edetic acid | [no description available] | medium | 21 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
calcium acetate | [no description available] | medium | 1 | 0 | calcium salt | chelator |
methionine | [no description available] | medium | 6 | 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 |
oxacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial agent; antibacterial drug |
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 | |
diethylpropion | [no description available] | medium | 1 | 0 | aromatic ketone; tertiary amine | appetite depressant |
methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
aminophylline | [no description available] | medium | 4 | 0 | mixture | bronchodilator agent; cardiotonic drug |
galantamine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
nandrolone decanoate | [no description available] | medium | 1 | 0 | steroid ester | |
4-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
methamphetamine | [no description available] | medium | 3 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
pamabrom | [no description available] | medium | 1 | 0 | | |
diphenoxylate | [no description available] | medium | 2 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal 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 |
megestrol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
carbenicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
methenamine hippurate | [no description available] | medium | 1 | 0 | N-acylglycine | |
sodium thiosulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
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 |
fludrocortisone | [no description available] | medium | 1 | 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 |
oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
amikacin | [no description available] | medium | 1 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
vecuronium | [no description available] | medium | 1 | 0 | acetate ester; androstane; quaternary ammonium ion | drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist |
mefloquine | [no description available] | medium | 2 | 0 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
nitazoxanide | [no description available] | medium | 2 | 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 |
miglustat | [no description available] | medium | 1 | 0 | piperidines; tertiary amino compound | anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
haloperidol decanoate | [no description available] | medium | 1 | 0 | organic molecular entity | |
balsalazide | [no description available] | medium | 1 | 0 | | |
ranolazine | [no description available] | medium | 2 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
adefovir | [no description available] | medium | 2 | 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 |
clopidogrel | [no description available] | medium | 1 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
duloxetine | [no description available] | medium | 1 | 0 | duloxetine | |
zolmitriptan | [no description available] | medium | 1 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
emtricitabine | [no description available] | medium | 2 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
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 |
capecitabine | [no description available] | medium | 1 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
efavirenz | [no description available] | medium | 3 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
fenofibric acid | [no description available] | medium | 1 | 0 | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
plerixafor | [no description available] | medium | 2 | 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 |
histamine phosphate | [no description available] | medium | 1 | 0 | phosphate salt | histamine agonist |
bendamustine | [no description available] | medium | 1 | 0 | benzimidazoles | |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
acamprosate | [no description available] | medium | 1 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
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 |
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 |
mci 9038 | [no description available] | medium | 1 | 0 | peptide | |
perindopril | [no description available] | medium | 1 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
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 | |
nitisinone | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
clofarabine | [no description available] | medium | 1 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
valdecoxib | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
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 | 1 | 0 | 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 |
rufinamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
olmesartan medoxomil | [no description available] | medium | 1 | 0 | biphenyls | |
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 |
atazanavir | [no description available] | medium | 2 | 0 | carbohydrazide | antiviral drug; HIV protease inhibitor |
ezetimibe | [no description available] | medium | 1 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
ertapenem | [no description available] | medium | 1 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
conivaptan | [no description available] | medium | 1 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
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 | 2 | 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 | | |
etravirine | [no description available] | medium | 2 | 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 |
darunavir | [no description available] | medium | 2 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
tbc-11251 | [no description available] | medium | 1 | 0 | benzodioxoles | |
tolvaptan | [no description available] | medium | 1 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
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 |
bortezomib | [no description available] | medium | 3 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
pancuronium | [no description available] | medium | 1 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
miglitol | [no description available] | medium | 1 | 0 | piperidines | |
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 |
tolterodine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
clindamycin | [no description available] | medium | 1 | 0 | | |
octreotide | [no description available] | medium | 1 | 0 | | |
eptifibatide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
decitabine | [no description available] | medium | 1 | 0 | 2'-deoxyribonucleoside | |
posaconazole | [no description available] | medium | 3 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
micafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
riboflavin | [no description available] | medium | 3 | 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 |
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 | 14 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
s 1033 | [no description available] | medium | 1 | 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 |
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 |
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 |
mivacurium | [no description available] | medium | 1 | 0 | isoquinolines | |
hemabate | [no description available] | medium | 1 | 0 | | |
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 |
paricalcitol | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
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 | |
alatrofloxacin mesylate | [no description available] | medium | 1 | 0 | | |
estropipate | [no description available] | medium | 1 | 0 | piperazinium salt; steroid sulfate | |
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 | | |
deamino arginine vasopressin | [no description available] | medium | 2 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
dexmedetomidine | [no description available] | medium | 1 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
goserelin | [no description available] | medium | 2 | 0 | organic molecular entity | |
nateglinide | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
silodosin | [no description available] | medium | 1 | 0 | indolecarboxamide | |
verteporfin | [no description available] | medium | 2 | 0 | | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
bleomycin | [no description available] | medium | 1 | 0 | bleomycin | antineoplastic agent; metabolite |
pregabalin | [no description available] | medium | 1 | 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 |
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 |
ixabepilone | [no description available] | medium | 1 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
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 |
fesoterodine | [no description available] | medium | 1 | 0 | diarylmethane | |
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 | 6 | 0 | oligopeptide | |
tapentadol | [no description available] | medium | 1 | 0 | alkylbenzene | |
pentagastrin | [no description available] | medium | 1 | 0 | organic molecular entity | |
cefditoren | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
prasugrel hydrochloride | [no description available] | medium | 1 | 0 | | |
bms 477118 | [no description available] | medium | 2 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
bivalirudin | [no description available] | medium | 1 | 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 |
tigecycline | [no description available] | medium | 1 | 0 | | |
fertinex | [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 |
vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
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 | 2 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
pemetrexed | [no description available] | medium | 2 | 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 |
w 7 | [no description available] | medium | 264 | 0 | | |
lubeluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
aurintricarboxylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist |
candesartan cilexetil | [no description available] | medium | 2 | 0 | biphenyls | |
gw 7647 | [no description available] | medium | 1 | 0 | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist |
rottlerin | [no description available] | medium | 1 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
ellagic acid | [no description available] | medium | 1 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
manoalide | [no description available] | medium | 1 | 0 | butenolide; lactol; sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
3-o-methylfunicone | [no description available] | medium | 1 | 0 | | |
purfalcamine | [no description available] | medium | 1 | 0 | | |
4,5,6,7-tetrabromobenzimidazole | [no description available] | medium | 1 | 0 | | |
cct 128930 | [no description available] | medium | 1 | 0 | | |
gdc 0941 | [no description available] | medium | 1 | 0 | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
cetylpyridinium chloride anhydrous | [no description available] | medium | 2 | 0 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
pevonedistat | [no description available] | medium | 2 | 0 | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
2-aminoethoxydiphenyl borate | [no description available] | medium | 2 | 0 | organoboron compound; primary amino compound | calcium channel blocker; IP3 receptor antagonist; potassium channel opener |
chlorocresol | [no description available] | medium | 1 | 0 | hydroxytoluene; monochlorobenzenes | antimicrobial agent; disinfectant; ryanodine receptor agonist |
4-nonylphenol | [no description available] | medium | 1 | 0 | phenols | environmental contaminant |
2,5-di-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | |
cgp 37157 | [no description available] | medium | 2 | 0 | benzothiazepine | |
chelerythrine | [no description available] | medium | 4 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
tetrabromobisphenol a | [no description available] | medium | 1 | 0 | brominated flame retardant; bromobisphenol | |
bisphenol a | [no description available] | medium | 1 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
epigallocatechin gallate | [no description available] | medium | 2 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
saikosaponin d | [no description available] | medium | 1 | 0 | | |
3,6-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
curcumin | [no description available] | medium | 2 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
22,23-dihydroavermectin b(1)a | [no description available] | medium | 1 | 0 | macrocyclic lactone; spiroketal | |
alisol b | [no description available] | medium | 1 | 0 | triterpenoid | |
ethyl 2-amino-6-(3,5-dimethoxyphenyl)-4-(2-ethoxy-2-oxoethyl)-4h-chromene-3-carboxylate | [no description available] | medium | 1 | 0 | | |
biselyngbyaside | [no description available] | medium | 1 | 0 | | |
aminolevulinic acid | [no description available] | medium | 2 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pleconaril | [no description available] | medium | 1 | 0 | | |
4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 1 | 0 | | |
alprenolol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
camostat | [no description available] | medium | 1 | 0 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
2-hexyloxybenzamide | [no description available] | medium | 1 | 0 | aromatic ether; benzamides | antifungal agent |
gabexate | [no description available] | medium | 2 | 0 | benzoate ester | |
glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
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 |
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 |
hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
beta-thujaplicin | [no description available] | medium | 1 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
kojic acid | [no description available] | medium | 1 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
lapachol | [no description available] | medium | 1 | 0 | | |
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | medium | 1 | 0 | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
mafenide | [no description available] | medium | 1 | 0 | aromatic amine | |
entinostat | [no description available] | medium | 1 | 0 | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
ethylmaleimide | [no description available] | medium | 11 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
nafamostat | [no description available] | medium | 1 | 0 | benzoic acids; guanidines | |
osalmide | [no description available] | medium | 1 | 0 | organic molecular entity | |
palmidrol | [no description available] | medium | 1 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
pimobendan | [no description available] | medium | 2 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
pj-34 | [no description available] | medium | 1 | 0 | phenanthridines; secondary carboxamide; tertiary amino compound | angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent |
scriptaid | [no description available] | medium | 1 | 0 | isoquinolines | |
sebacic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
fenofibrate | [no description available] | medium | 1 | 0 | benzochromenone; delta-lactone; naphtho-alpha-pyrone | platelet aggregation inhibitor; Sir2 inhibitor |
trigonelline | [no description available] | medium | 1 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
lysine | [no description available] | medium | 5 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
ficusin | [no description available] | medium | 1 | 0 | psoralens | plant metabolite |
tubercidin | [no description available] | medium | 2 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
salicylanilide | [no description available] | medium | 1 | 0 | benzanilide fungicide; salicylamides; salicylanilides | |
gramine | [no description available] | medium | 1 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
aminacrine | [no description available] | medium | 4 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
methyl gallate | [no description available] | medium | 1 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
monobenzone | [no description available] | medium | 1 | 0 | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
lucanthone | [no description available] | medium | 2 | 0 | thioxanthenes | adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug |
cepharanthine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
aloe emodin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; coumarins | metabolite |
flavanone | [no description available] | medium | 1 | 0 | flavanones | |
phloretic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
angelicin | [no description available] | medium | 1 | 0 | furanocoumarin | |
hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
metformin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | environmental contaminant; hypoglycemic agent; xenobiotic |
antimycin a | [no description available] | medium | 1 | 0 | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide |
5,5'-dimethyl-2,2'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridines | |
dichlorobenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols; dichlorobenzene | antiseptic drug |
dideoxyadenosine | [no description available] | medium | 1 | 0 | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
3-deazaadenosine | [no description available] | medium | 2 | 0 | | |
ancitabine | [no description available] | medium | 1 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
chloropyramine | [no description available] | medium | 1 | 0 | aminopyridine | |
n'-nitrosonornicotine | [no description available] | medium | 1 | 0 | pyridines; pyrrolidines | |
pyridoxal phosphate | [no description available] | medium | 1 | 0 | pyridinecarbaldehyde | |
oltipraz | [no description available] | medium | 1 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
fiacitabine | [no description available] | medium | 1 | 0 | | |
brequinar | [no description available] | medium | 1 | 0 | biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
celgosivir | [no description available] | medium | 1 | 0 | | |
zanamivir | [no description available] | medium | 1 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
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 |
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 |
arctigenin | [no description available] | medium | 1 | 0 | lignan | |
baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | medium | 1 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
cephalotaxine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound | |
desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
propazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
prulifloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; quinolone antibiotic | |
bergenin | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | metabolite |
brinzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thienothiazine | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
oxprenolol hydrochloride | [no description available] | medium | 1 | 0 | | |
opipramol hydrochloride | [no description available] | medium | 1 | 0 | | |
moroxydine | [no description available] | medium | 1 | 0 | biguanides | |
thioxolone | [no description available] | medium | 1 | 0 | benzoxathiole | antiseborrheic |
honokiol | [no description available] | medium | 2 | 0 | biphenyls | |
nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
lycorine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
leupeptin | [no description available] | medium | 4 | 0 | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
fangchinoline | [no description available] | medium | 1 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle | anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite |
maslinic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
loganin | [no description available] | medium | 1 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite |
aucubin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
catalpol | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
geniposide | [no description available] | medium | 1 | 0 | terpene glycoside | |
daidzin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
sophocarpine | [no description available] | medium | 1 | 0 | | |
marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
elacridar | [no description available] | medium | 1 | 0 | | |
celastrol | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
vadimezan | [no description available] | medium | 1 | 0 | monocarboxylic acid; xanthones | antineoplastic agent |
e 64 | [no description available] | medium | 2 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
umifenovir | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
safinamide | [no description available] | medium | 1 | 0 | amino acid amide | |
vx 497 | [no description available] | medium | 1 | 0 | | |
bcx 1812 | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
celastrol methyl ester | [no description available] | medium | 1 | 0 | carboxylic ester | |
resiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | |
anacardic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
migalastat | [no description available] | medium | 1 | 0 | piperidines | |
limonin | [no description available] | medium | 1 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
scutellarin | [no description available] | medium | 1 | 0 | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
chelidonine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
4-n-butylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
dapivirine | [no description available] | medium | 1 | 0 | | |
nsc 74859 | [no description available] | medium | 1 | 0 | amidobenzoic acid; monohydroxybenzoic acid; tosylate ester | STAT3 inhibitor |
berbamine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
u-104 | [no description available] | medium | 1 | 0 | | |
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | glycoside | |
tizoxanide | [no description available] | medium | 1 | 0 | salicylamides | |
arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
conessine | [no description available] | medium | 1 | 0 | steroid alkaloid; tertiary amino compound | antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite |
cephaelin | [no description available] | medium | 1 | 0 | pyridoisoquinoline | |
(-)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
lycopene | [no description available] | medium | 1 | 0 | acyclic carotene | antioxidant; plant metabolite |
roflumilast | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound | anti-asthmatic drug; phosphodiesterase IV inhibitor |
L-cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
h 89 | [no description available] | medium | 3 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
bevirimat | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid | HIV-1 maturation inhibitor; metabolite |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 4 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
gw 257406x | [no description available] | medium | 1 | 0 | | |
shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide | [no description available] | medium | 1 | 0 | tropane alkaloid | |
cmx 001 | [no description available] | medium | 1 | 0 | | |
amd 8664 | [no description available] | medium | 1 | 0 | | |
bay 41-4109 | [no description available] | medium | 1 | 0 | | |
bay 57-1293 | [no description available] | medium | 1 | 0 | | |
2'-c-methylcytidine | [no description available] | medium | 1 | 0 | | |
isoxanthohumol | [no description available] | medium | 1 | 0 | flavanones | |
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | [no description available] | medium | 1 | 0 | aromatic ether | |
mecarbinate | [no description available] | medium | 1 | 0 | | |
acetyl-aspartyl-glutamyl-valyl-aspartal | [no description available] | medium | 1 | 0 | tetrapeptide | protease inhibitor |
jrf 12 | [no description available] | medium | 1 | 0 | | |
3,4'-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 1 | 0 | methoxycinnamic acid | |
isoferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
cyclouridine | [no description available] | medium | 1 | 0 | | |
zucapsaicin | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
nbd 556 | [no description available] | medium | 1 | 0 | | |
4,5,6,7-tetrachloroindan-1,3-dione | [no description available] | medium | 1 | 0 | | |
srpin340 | [no description available] | medium | 1 | 0 | | |
pr-619 | [no description available] | medium | 1 | 0 | | |
p5091 | [no description available] | medium | 1 | 0 | | |
trovirdine | [no description available] | medium | 1 | 0 | | |
fti 277 | [no description available] | medium | 1 | 0 | | |
u 0126 | [no description available] | medium | 1 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
vicriviroc | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
yya-021 | [no description available] | medium | 1 | 0 | | |
sb 415286 | [no description available] | medium | 1 | 0 | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
tak-220 | [no description available] | medium | 1 | 0 | | |
jtk-303 | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone | HIV-1 integrase inhibitor |
nbd 557 | [no description available] | medium | 1 | 0 | | |
5'-o-caffeoylquinic acid | [no description available] | medium | 1 | 0 | cinnamate ester; cyclitol carboxylic acid | plant metabolite |
luteolin-7-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
cyclosporine | [no description available] | medium | 1 | 0 | | |
amentoflavone | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite |
genkwanin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | metabolite |
hyperoside | [no description available] | medium | 1 | 0 | beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
mangostin | [no description available] | medium | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
3-methylquercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
kaempferide | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
orientin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
scutellarein | [no description available] | medium | 1 | 0 | tetrahydroxyflavone | metabolite |
trans-2,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | stilbenoid | |
chicoric acid | [no description available] | medium | 1 | 0 | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
acteoside | [no description available] | medium | 1 | 0 | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
benzyloxycarbonyl-phe-ala-fluormethylketone | [no description available] | medium | 1 | 0 | | |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | medium | 1 | 0 | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
casticin | [no description available] | medium | 1 | 0 | dihydroxyflavone; tetramethoxyflavone | apoptosis inducer; plant metabolite |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; resorcinols; stilbenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor |
tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
pd 151746 | [no description available] | medium | 1 | 0 | | |
batimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
solanesol | [no description available] | medium | 1 | 0 | nonaprenol; primary alcohol | plant metabolite |
pepstatin | [no description available] | medium | 1 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
l 685458 | [no description available] | medium | 1 | 0 | carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic |
bms 806 | [no description available] | medium | 1 | 0 | | |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
tulobuterol hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
salubrinal | [no description available] | medium | 1 | 0 | aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas | |
germacrone | [no description available] | medium | 1 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | [no description available] | medium | 1 | 0 | | |
lithospermic acid | [no description available] | medium | 1 | 0 | | |
laq824 | [no description available] | medium | 1 | 0 | | |
ekb 569 | [no description available] | medium | 1 | 0 | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
rilpivirine | [no description available] | medium | 1 | 0 | aminopyrimidine; nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor |
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | [no description available] | medium | 1 | 0 | germacranolide | |
4,5-di-O-caffeoylquinic acid | [no description available] | medium | 1 | 0 | quinic acid | |
indigo carmine | [no description available] | medium | 1 | 0 | | |
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | [no description available] | medium | 1 | 0 | oligopeptide | |
vildagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
belinostat | [no description available] | medium | 1 | 0 | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
hdac-42 | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
gs-7340 | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester | antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug |
iniparib | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | [no description available] | medium | 1 | 0 | | |
pri-2205 | [no description available] | medium | 1 | 0 | | |
mk 0752 | [no description available] | medium | 1 | 0 | | |
givinostat | [no description available] | medium | 1 | 0 | carbamate ester | |
pd 144418 | [no description available] | medium | 1 | 0 | | |
bicyclol | [no description available] | medium | 1 | 0 | | |
midostaurin | [no description available] | medium | 1 | 0 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
mocetinostat | [no description available] | medium | 3 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
rivaroxaban | [no description available] | medium | 1 | 0 | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
sb 3ct compound | [no description available] | medium | 1 | 0 | aromatic ether | |
ginsenoside rb1 | [no description available] | medium | 1 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
rucaparib | [no description available] | medium | 1 | 0 | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
cetilistat | [no description available] | medium | 1 | 0 | benzoxazine | |
ym 201636 | [no description available] | medium | 1 | 0 | aromatic amide | |
linagliptin | [no description available] | medium | 1 | 0 | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
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 |
odanacatib | [no description available] | medium | 1 | 0 | | |
apilimod | [no description available] | medium | 1 | 0 | | |
apixaban | [no description available] | medium | 1 | 0 | aromatic ether; lactam; piperidones; pyrazolopyridine | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
betrixaban | [no description available] | medium | 1 | 0 | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
edoxaban | [no description available] | medium | 1 | 0 | chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor |
saracatinib | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent |
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | [no description available] | medium | 1 | 0 | tripeptide; ureas | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
ly 411575 | [no description available] | medium | 1 | 0 | dibenzoazepine; difluorobenzene; lactam; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor |
galidesivir | [no description available] | medium | 1 | 0 | | |
PB28 | [no description available] | medium | 1 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
degrasyn | [no description available] | medium | 1 | 0 | | |
epoxomicin | [no description available] | medium | 1 | 0 | morpholines; tripeptide | proteasome inhibitor |
pha 680632 | [no description available] | medium | 1 | 0 | | |
tmc 353121 | [no description available] | medium | 1 | 0 | | |
amd 070 | [no description available] | medium | 1 | 0 | aminoquinoline | |
danoprevir | [no description available] | medium | 1 | 0 | | |
bms-626529 | [no description available] | medium | 1 | 0 | | |
bms-663068 | [no description available] | medium | 1 | 0 | | |
amenamevir | [no description available] | medium | 1 | 0 | | |
vx 765 | [no description available] | medium | 1 | 0 | dipeptide | |
Dihydrotanshinone I | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
alogliptin | [no description available] | medium | 1 | 0 | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
fr 180204 | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
quisinostat | [no description available] | medium | 1 | 0 | indoles | |
carfilzomib | [no description available] | medium | 1 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
hcv 796 | [no description available] | medium | 1 | 0 | | |
resminostat | [no description available] | medium | 1 | 0 | | |
zk 756326 | [no description available] | medium | 1 | 0 | aromatic ether | |
balapiravir | [no description available] | medium | 1 | 0 | | |
trametinib | [no description available] | medium | 1 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
deoxyarbutin | [no description available] | medium | 1 | 0 | | |
abexinostat | [no description available] | medium | 1 | 0 | benzofurans | |
silvestrol | [no description available] | medium | 1 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
narlaprevir | [no description available] | medium | 1 | 0 | azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas | anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor |
teneligliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
dextrothyroxine | [no description available] | medium | 2 | 0 | | |
veliparib | [no description available] | medium | 1 | 0 | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pf 03491390 | [no description available] | medium | 1 | 0 | | |
alloin | [no description available] | medium | 1 | 0 | anthracenes; C-glycosyl compound; cyclic ketone; phenols | laxative; metabolite |
mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
bms-650032 | [no description available] | medium | 1 | 0 | oligopeptide | |
rg 7128 | [no description available] | medium | 1 | 0 | | |
oritavancin | [no description available] | medium | 1 | 0 | disaccharide derivative; glycopeptide; semisynthetic derivative | antibacterial drug; antimicrobial agent |
uk 453,061 | [no description available] | medium | 1 | 0 | aromatic ether | |
N-(2-aminophenyl)-2-pyrazinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
tegobuvir | [no description available] | medium | 1 | 0 | | |
pf-429242 | [no description available] | medium | 1 | 0 | | |
olaparib | [no description available] | medium | 1 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
cx 4945 | [no description available] | medium | 1 | 0 | | |
pci 34051 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
lomibuvir | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
delanzomib | [no description available] | medium | 1 | 0 | C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative | antineoplastic agent; apoptosis inducer; proteasome inhibitor |
pitavastatin(1-) | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid anion | |
GRL-0617 | [no description available] | medium | 1 | 0 | benzamides; naphthalenes; secondary carboxamide; substituted aniline | anticoronaviral agent; protease inhibitor |
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | [no description available] | medium | 1 | 0 | carbamate ester | |
niraparib | [no description available] | medium | 1 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent |
jzl 184 | [no description available] | medium | 1 | 0 | benzodioxoles | |
gsk 650394 | [no description available] | medium | 1 | 0 | phenylpyridine | |
oprozomib | [no description available] | medium | 1 | 0 | | |
az 960 | [no description available] | medium | 1 | 0 | | |
golgicide a | [no description available] | medium | 1 | 0 | diastereoisomeric mixture | cis-Golgi ArfGEF GBF inhibitor |
cobicistat | [no description available] | medium | 1 | 0 | 1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas | P450 inhibitor |
bms-790052 | [no description available] | medium | 1 | 0 | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
ixazomib | [no description available] | medium | 1 | 0 | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
ucph 101 | [no description available] | medium | 1 | 0 | | |
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide; thienopyrimidine | |
baricitinib | [no description available] | medium | 1 | 0 | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent |
KOM70144 | [no description available] | medium | 1 | 0 | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
e-52862 | [no description available] | medium | 1 | 0 | | |
ly2811376 | [no description available] | medium | 1 | 0 | | |
anagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
gardiquimod | [no description available] | medium | 1 | 0 | | |
grazoprevir | [no description available] | medium | 1 | 0 | aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative | antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent |
abt-450 | [no description available] | medium | 1 | 0 | | |
letermovir | [no description available] | medium | 1 | 0 | | |
sofosbuvir | [no description available] | medium | 1 | 0 | isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester | antiviral drug; hepatitis C protease inhibitor; prodrug |
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 0 | benzoxazole | |
blz 945 | [no description available] | medium | 1 | 0 | | |
azd3839 | [no description available] | medium | 1 | 0 | | |
pf 3084014 | [no description available] | medium | 1 | 0 | | |
unc 0638 | [no description available] | medium | 1 | 0 | quinazolines | |
gs-9620 | [no description available] | medium | 1 | 0 | | |
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide | [no description available] | medium | 1 | 0 | | |
bms 708163 | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
jq1 compound | [no description available] | medium | 1 | 0 | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer |
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | [no description available] | medium | 1 | 0 | | |
gsk525762a | [no description available] | medium | 1 | 0 | benzodiazepine | |
ML240 | [no description available] | medium | 1 | 0 | aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound | antineoplastic agent |
birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
ly2886721 | [no description available] | medium | 1 | 0 | | |
nms-p118 | [no description available] | medium | 1 | 0 | | |
tubastatin a | [no description available] | medium | 1 | 0 | hydroxamic acid; pyridoindole; tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor |
pracinostat | [no description available] | medium | 1 | 0 | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
spautin-1 | [no description available] | medium | 1 | 0 | | |
ldn 57444 | [no description available] | medium | 1 | 0 | | |
gsk1210151a | [no description available] | medium | 1 | 0 | imidazoquinoline | |
i-bet726 | [no description available] | medium | 1 | 0 | | |
acy-1215 | [no description available] | medium | 1 | 0 | pyrimidinecarboxylic acid | |
cudc-907 | [no description available] | medium | 1 | 0 | | |
tasquinimod | [no description available] | medium | 1 | 0 | | |
gsk1265744 | [no description available] | medium | 1 | 0 | difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide | HIV-1 integrase inhibitor |
abt-267 | [no description available] | medium | 1 | 0 | aromatic amide; carbamate ester; dipeptide; pyrrolidines | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
abt-333 | [no description available] | medium | 1 | 0 | aromatic ether; naphthalenes; pyrimidone; sulfonamide | antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor |
rgfp966 | [no description available] | medium | 1 | 0 | | |
rg2833 | [no description available] | medium | 1 | 0 | | |
pi-1840 | [no description available] | medium | 1 | 0 | | |
acy-738 | [no description available] | medium | 1 | 0 | | |
pelabresib | [no description available] | medium | 1 | 0 | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
gs-5806 | [no description available] | medium | 1 | 0 | | |
doravirine | [no description available] | medium | 1 | 0 | | |
gn6958 | [no description available] | medium | 1 | 0 | | |
vx-787 | [no description available] | medium | 1 | 0 | | |
ledipasvir | [no description available] | medium | 1 | 0 | azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound | antiviral drug; hepatitis C protease inhibitor |
gs-5816 | [no description available] | medium | 1 | 0 | carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
g007-lk | [no description available] | medium | 1 | 0 | | |
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | [no description available] | medium | 1 | 0 | | |
selinexor | [no description available] | medium | 1 | 0 | | |
verdinexor | [no description available] | medium | 1 | 0 | | |
cb-839 | [no description available] | medium | 1 | 0 | | |
mk-8742 | [no description available] | medium | 1 | 0 | carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent |
atglistatin | [no description available] | medium | 1 | 0 | | |
xen445 | [no description available] | medium | 1 | 0 | | |
santacruzamate a | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
ldc4297 | [no description available] | medium | 1 | 0 | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
enasidenib | [no description available] | medium | 1 | 0 | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
s 8932 | [no description available] | medium | 1 | 0 | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug |
nu 1025 | [no description available] | medium | 1 | 0 | phenols; quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
4-hydroxyquinazoline | [no description available] | medium | 1 | 0 | quinazolines | |
azilsartan | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid | angiotensin receptor antagonist; antihypertensive agent |
hesperadin | [no description available] | medium | 1 | 0 | | |
6-bromoindirubin-3'-acetoxime | [no description available] | medium | 1 | 0 | | |
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 1 | 0 | catechols; hydrazide; hydrazone; naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
XL413 | [no description available] | medium | 1 | 0 | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
me0328 | [no description available] | medium | 1 | 0 | | |
nvp-tnks656 | [no description available] | medium | 1 | 0 | | |
raloxifene hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
quetiapine fumarate | [no description available] | medium | 2 | 0 | fumarate salt | |
adenosine monophosphate | [no description available] | medium | 3 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
clopenthixol | [no description available] | high | 8 | 1 | N-alkylpiperazine; primary alcohol; thioxanthenes | alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
flupenthixol | [no description available] | medium | 12 | 2 | thioxanthenes | |
paliperidone palmitate | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; fatty acid ester; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | |
cerium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
ruthenium | [no description available] | medium | 1 | 0 | iron group element atom; platinum group metal atom | |
fullerene c60 | [no description available] | medium | 1 | 0 | fullerene | geroprotector |
mefloquine | [no description available] | medium | 3 | 0 | | |
glycogen | [no description available] | medium | 10 | 0 | | |
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 |
pyrroles | [no description available] | medium | 4 | 0 | pyrrole; secondary amine | |
cardiovascular agents | [no description available] | medium | 2 | 0 | | |
cuprizone | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
sq-23377 | [no description available] | medium | 21 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
manganese | [no description available] | medium | 18 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
fura-2 | [no description available] | medium | 9 | 0 | | |
fura-2-am | [no description available] | medium | 2 | 0 | | |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
nadp | [no description available] | medium | 14 | 0 | | |
deoxycytidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
erlotinib hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
granisetron | [no description available] | medium | 1 | 0 | aromatic amide; indazoles | |
rhizoxin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; epoxide; macrolide antibiotic | antimitotic; antineoplastic agent; metabolite |
maytansine | [no description available] | medium | 1 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
ansamitocins | [no description available] | medium | 1 | 0 | | |
glycolipids | [no description available] | medium | 5 | 0 | | |
thiazoles | [no description available] | medium | 3 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
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 |
yo-pro 1 | [no description available] | medium | 1 | 0 | | |
benzoxazoles | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
oligonucleotides | [no description available] | medium | 1 | 0 | | |
alpha-bromonaphthalene | [no description available] | medium | 1 | 0 | | |
bromates | [no description available] | medium | 1 | 0 | bromine oxoanion; monovalent inorganic anion | |
ophiobolin a | [no description available] | medium | 2 | 0 | cyclic ketone; enal; oxaspiro compound; sesterterpenoid; tertiary alcohol | |
alpha-synuclein | [no description available] | medium | 1 | 0 | | |
sodium azide | [no description available] | medium | 5 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
calmidazolium | [no description available] | medium | 145 | 0 | imidazolium ion | apoptosis inducer; calmodulin antagonist |
mitotracker green fm | [no description available] | medium | 2 | 0 | | |
ganoderic acid b | [no description available] | medium | 1 | 0 | | |
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 |
4,6-dinitro-o-cresol | [no description available] | medium | 1 | 0 | dinitrophenol acaricide; hydroxytoluene; nitrotoluene | dinitrophenol insecticide; fungicide; herbicide |
methdilazine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine; phenothiazines | antipruritic drug; cholinergic antagonist; histamine antagonist |
as 1842856 | [no description available] | medium | 1 | 0 | organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound | anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent |
carbostyril | [no description available] | medium | 4 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
r 59949 | [no description available] | medium | 1 | 0 | diarylmethane | |
piperidines | [no description available] | medium | 29 | 5 | | |
muromonab-cd3 | [no description available] | medium | 1 | 0 | alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite |
kn 93 | [no description available] | medium | 4 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
u 73122 | [no description available] | medium | 5 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
oxazoles | [no description available] | medium | 5 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
nitrophenols | [no description available] | medium | 5 | 0 | | |
beta-escin | [no description available] | medium | 7 | 0 | | |
phytosterols | [no description available] | medium | 1 | 0 | | |
bongkrekic acid | [no description available] | medium | 2 | 0 | ether; olefinic compound; tricarboxylic acid | apoptosis inhibitor; ATP/ADP translocase inhibitor; bacterial metabolite; EC 2.5.1.18 (glutathione transferase) inhibitor; toxin |
andrographolide | [no description available] | medium | 1 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
hki 272 | [no description available] | medium | 1 | 0 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
hesperetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
pd 98059 | [no description available] | medium | 2 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
ospemifene | [no description available] | medium | 1 | 0 | aromatic ether; organochlorine compound; primary alcohol | anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator |
trifluoperazine dimaleate | [no description available] | medium | 5 | 0 | maleate salt | |
egtazic acid | [no description available] | medium | 171 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
cyclosporine | [no description available] | medium | 41 | 0 | | |
oligomycins | [no description available] | medium | 6 | 0 | | |
cytochrome c-t | [no description available] | medium | 6 | 0 | | |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 1 | 0 | | |
thiourea | [no description available] | medium | 3 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
3-methyladenine | [no description available] | medium | 2 | 0 | | |
bromodeoxyuridine | [no description available] | medium | 5 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
afimoxifene | [no description available] | medium | 4 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
trimetazidine | [no description available] | medium | 2 | 0 | aromatic amine | |
ammonium hydroxide | [no description available] | medium | 3 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
pyruvic acid | [no description available] | medium | 2 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
cyclic gmp | [no description available] | medium | 34 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
chetomin | [no description available] | medium | 1 | 0 | indoles; organic disulfide; organic heteropentacyclic compound | Chaetomium metabolite; immunosuppressive agent |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 9 | 0 | | |
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 |
isopropamide iodide | [no description available] | medium | 6 | 0 | diarylmethane | |
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | [no description available] | medium | 19 | 0 | naphthalenes; organochlorine compound; primary amino compound; sulfonamide | |
lignin | [no description available] | medium | 2 | 0 | | |
cobalt | [no description available] | medium | 7 | 0 | cobalt group element atom; metal allergen | micronutrient |
cobaltous chloride | [no description available] | medium | 2 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
destruxin a | [no description available] | medium | 1 | 0 | | |
abscisic acid | [no description available] | medium | 2 | 0 | 2-trans-abscisic acid | |
pempidine | [no description available] | medium | 2 | 0 | piperidines | |
benzethonium | [no description available] | medium | 1 | 0 | alkylbenzene | |
melitten | [no description available] | medium | 21 | 0 | | |
nickel | [no description available] | medium | 6 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
histidine | [no description available] | medium | 3 | 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 |
methylbenzethonium chloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
D-fructopyranose | [no description available] | medium | 5 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
1,2-oleoylphosphatidylcholine | [no description available] | medium | 1 | 0 | phosphatidylcholine(1+) | |
phosphatidylcholines | [no description available] | medium | 19 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
monobromobimane | [no description available] | medium | 1 | 0 | organobromine compound; pyrazolopyrazole | fluorochrome |
nicotine n-glucuronide | [no description available] | medium | 1 | 0 | iminium betaine; N-glycosylpyridine | metabolite |
n-(6-aminohexyl)-1-naphthalenesulfonamide | [no description available] | medium | 37 | 0 | naphthalenes; sulfonic acid derivative | |
calpain | [no description available] | medium | 4 | 0 | | |
gigantol | [no description available] | medium | 1 | 0 | | |
uridine diphosphate glucuronic acid | [no description available] | medium | 1 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
eslicarbazepine acetate | [no description available] | medium | 1 | 0 | acetate ester; carboxamide; dibenzoazepine; ureas | anticonvulsant; drug allergen |
cytochalasin e | [no description available] | medium | 1 | 0 | cytochalasan alkaloid | metabolite |
cytochalasin d | [no description available] | medium | 13 | 0 | | |
brefeldin a | [no description available] | medium | 2 | 0 | macrolide antibiotic | Penicillium metabolite |
phalloidine | [no description available] | medium | 2 | 0 | homodetic cyclic peptide | |
cytochalasin a | [no description available] | medium | 1 | 0 | cytochalasin | |
1,3-dimethylthiourea | [no description available] | medium | 1 | 0 | | |
hydrogen sulfide | [no description available] | medium | 2 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
sodium bisulfide | [no description available] | medium | 1 | 0 | | |
ro 25-6981 | [no description available] | medium | 1 | 0 | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
dianisidine | [no description available] | medium | 1 | 0 | biphenyls | |
thioproperazine | [no description available] | high | 13 | 0 | N-alkylpiperazine; N-methylpiperazine; phenothiazines; sulfonamide | phenothiazine antipsychotic drug |
quinazolines | [no description available] | medium | 4 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
tanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
tetrodotoxin | [no description available] | medium | 13 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
guanosine triphosphate | [no description available] | medium | 8 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
endothelin-1 | [no description available] | medium | 2 | 0 | | |
angiotensin ii | [no description available] | medium | 25 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
pituitrin | [no description available] | medium | 22 | 0 | | |
dantrolene | [no description available] | medium | 15 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
inositol 1,4,5-trisphosphate | [no description available] | medium | 10 | 0 | myo-inositol trisphosphate | mouse metabolite |
bradykinin | [no description available] | medium | 13 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
thallium | [no description available] | medium | 1 | 0 | boron group element atom | |
4-chloro-7-nitrobenzofurazan | [no description available] | medium | 2 | 0 | benzoxadiazole; C-nitro compound; organochlorine compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome |
n-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproyl sphingosine | [no description available] | medium | 1 | 0 | N-acylsphingosine | fluorescent probe |
n-methylaspartate | [no description available] | medium | 2 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
kainic acid | [no description available] | medium | 5 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
bucladesine | [no description available] | medium | 44 | 0 | 3',5'-cyclic purine nucleotide | |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 38 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
glutamic acid | [no description available] | medium | 18 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
rmi 12330a | [no description available] | medium | 6 | 0 | | |
ryanodine | [no description available] | medium | 6 | 0 | | |
gossypol | [no description available] | medium | 3 | 0 | | |
xestospongin a | [no description available] | medium | 1 | 0 | | |
scoparone | [no description available] | medium | 1 | 0 | aromatic ether; coumarins | anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite |
sesquiterpenes | [no description available] | medium | 4 | 0 | | |
pyrethrins | [no description available] | medium | 1 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 7 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
veratridine | [no description available] | medium | 7 | 0 | | |
decamethrin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
kn 62 | [no description available] | medium | 10 | 0 | piperazines | |
indazoles | [no description available] | medium | 1 | 0 | indazole | |
staurosporine | [no description available] | medium | 29 | 0 | ammonium ion derivative | |
chlorophyll a | [no description available] | medium | 1 | 0 | chlorophyll; methyl ester | cofactor |
u 73343 | [no description available] | medium | 2 | 0 | | |
mlck peptide | [no description available] | medium | 1 | 0 | | |
staurosporine aglycone | [no description available] | medium | 5 | 0 | | |
glycyl-arginyl-glycyl-aspartyl-seryl-proline | [no description available] | medium | 1 | 0 | | |
hydrogen cyanide | [no description available] | medium | 1 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
gliotoxin | [no description available] | medium | 1 | 0 | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
osteoprotegerin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
parstelin | [no description available] | medium | 3 | 0 | | |
amobarbital | [no description available] | medium | 26 | 2 | barbiturates | |
iodine | [no description available] | medium | 2 | 0 | diatomic iodine | nutrient |
prothipendyl | [no description available] | medium | 4 | 0 | aromatic amine; tertiary amino compound | |
fluorine | [no description available] | medium | 12 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
pheniprazine | [no description available] | medium | 1 | 0 | amphetamines | |
phosphorus | [no description available] | medium | 4 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
methysergide | [no description available] | medium | 4 | 0 | ergoline alkaloid | |
phenmetrazine | [no description available] | medium | 6 | 0 | morpholines | metabolite; sympathomimetic agent |
choline | [no description available] | medium | 13 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
naphthoquinones | [no description available] | medium | 1 | 0 | | |
azides | [no description available] | medium | 8 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
cyanides | [no description available] | medium | 6 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
neotetrazolium | [no description available] | medium | 1 | 0 | | |
ubiquinone | [no description available] | medium | 1 | 0 | | |
salicylates | [no description available] | medium | 6 | 0 | monohydroxybenzoate | plant metabolite |
deanol | [no description available] | medium | 5 | 0 | ethanolamines; tertiary amine | curing agent; radical scavenger |
benactyzine | [no description available] | medium | 20 | 0 | diarylmethane | |
lithium | [no description available] | medium | 29 | 5 | alkali metal atom | |
beta-aminoethyl isothiourea | [no description available] | medium | 1 | 0 | | |
17-ketosteroids | [no description available] | medium | 2 | 0 | | |
niacinamide | [no description available] | medium | 2 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
syrosingopine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
ergotamine | [no description available] | medium | 4 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
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 |
oxypertine | [no description available] | medium | 1 | 0 | organic molecular entity | |
sucrose | [no description available] | medium | 4 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
chlorine | [no description available] | medium | 37 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
benzquinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative |
pipradrol | [no description available] | medium | 1 | 0 | diarylmethane | |
hydroxyindoleacetic acid | [no description available] | medium | 7 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
dihydroxyphenylalanine | [no description available] | medium | 9 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
tryptophan | [no description available] | medium | 7 | 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 |
virginiamycin | [no description available] | medium | 1 | 0 | | |
dalfopristin | [no description available] | medium | 1 | 0 | | |
quinupristin | [no description available] | medium | 1 | 0 | cyclodepsipeptide | |
oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester; oxazolidinone | metabolite |
gadolinium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
serine | [no description available] | medium | 4 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
7-hydroxy-4-trifluoromethylcoumarin | [no description available] | medium | 1 | 0 | | |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
rhodamine 123 | [no description available] | medium | 3 | 0 | organic cation; xanthene dye | fluorochrome |
lanthanum | [no description available] | medium | 26 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
lanthanum chloride | [no description available] | medium | 6 | 0 | | |
sudan iii | [no description available] | medium | 1 | 0 | azobenzenes; bis(azo) compound; naphthols | carcinogenic agent; fluorochrome; histological dye |
nile red | [no description available] | medium | 1 | 0 | aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound | fluorochrome; histological dye |
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | [no description available] | medium | 1 | 0 | BODIPY compound | |
1,2-dipalmitoylphosphatidylglycerol | [no description available] | medium | 1 | 0 | phosphatidylglycerol | |
1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 3 | 0 | | |
l 012 | [no description available] | medium | 1 | 0 | | |
luminol | [no description available] | medium | 2 | 0 | | |
arachidonic acid | [no description available] | medium | 40 | 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 |
chondroitin sulfates | [no description available] | medium | 1 | 0 | | |
sepharose | [no description available] | medium | 2 | 0 | | |
lactoferrin | [no description available] | medium | 2 | 0 | | |
transferrin | [no description available] | medium | 4 | 0 | | |
nad | [no description available] | medium | 10 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
phosphoserine | [no description available] | medium | 6 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
phosphotyrosine | [no description available] | medium | 4 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
okadaic acid | [no description available] | medium | 23 | 0 | ketal | |
phosphothreonine | [no description available] | medium | 3 | 0 | L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid | Escherichia coli metabolite |
vanadates | [no description available] | medium | 29 | 0 | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
dimyristoylphosphatidylcholine | [no description available] | medium | 3 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
cyclin d1 | [no description available] | medium | 1 | 0 | | |
dichlororibofuranosylbenzimidazole | [no description available] | medium | 1 | 0 | | |
deacetoxyvinzolidine | [no description available] | medium | 3 | 0 | | |
guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 7 | 0 | nucleoside triphosphate analogue | |
cgp 7930 | [no description available] | medium | 1 | 0 | alkylbenzene | |
1-(4-methoxyphenyl)pyridinium | [no description available] | medium | 1 | 0 | | |
daunorubicinol | [no description available] | medium | 1 | 0 | 13-dihydrodaunorubicin | |
cadaverine | [no description available] | medium | 6 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
monodansylcadaverine | [no description available] | medium | 5 | 0 | aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent |
leupeptins | [no description available] | medium | 6 | 0 | | |
3-nitropropionic acid | [no description available] | medium | 1 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
diacetyl | [no description available] | medium | 1 | 0 | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
diacetylmonoxime | [no description available] | medium | 1 | 0 | | |
blister | [no description available] | medium | 1 | 0 | cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone | inhibitor |
alamethicin | [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 |
heme | [no description available] | medium | 2 | 0 | | |
carbachol | [no description available] | medium | 36 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
ferric sulfate | [no description available] | medium | 1 | 0 | iron molecular entity; metal sulfate | astringent; catalyst; mordant |
dithiothreitol | [no description available] | medium | 5 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
sphingosine | [no description available] | medium | 10 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
sphingosine 1-phosphate | [no description available] | medium | 1 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
hygromycin a | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | metabolite |
hygromycin b | [no description available] | medium | 1 | 0 | | |
magnesium sulfate | [no description available] | medium | 4 | 1 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
omega-n-methylarginine | [no description available] | medium | 8 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
propane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | food propellant |
strontium | [no description available] | medium | 5 | 0 | alkaline earth metal atom | |
iodoacetamide | [no description available] | medium | 1 | 0 | | |
lysophosphatidic acid | [no description available] | medium | 1 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
merocyanine dye | [no description available] | medium | 1 | 0 | | |
pyrimidinones | [no description available] | medium | 1 | 0 | | |
kaolinite | [no description available] | medium | 1 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
substance p | [no description available] | medium | 4 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 27 | 0 | aromatic ether; secondary amino compound | metabolite |
sodium fluoride | [no description available] | medium | 8 | 0 | fluoride salt | mutagen |
concanavalin a | [no description available] | medium | 14 | 0 | | |
enkephalin, methionine | [no description available] | medium | 6 | 0 | | |
cetiedil | [no description available] | medium | 1 | 0 | azepanes | |
tetradecanoylphorbol acetate | [no description available] | medium | 98 | 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 |
phorbols | [no description available] | medium | 13 | 0 | diterpene; terpenoid fundamental parent | |
oleic acid | [no description available] | medium | 5 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 19 | 0 | tripeptide | |
phosphorus radioisotopes | [no description available] | medium | 11 | 0 | | |
tyrosine | [no description available] | medium | 9 | 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 |
linoleic acid | [no description available] | medium | 4 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
benzoyltyrosine ethyl ester | [no description available] | medium | 1 | 0 | benzamides; ethyl ester; L-tyrosine derivative; phenols | chromogenic compound |
vasoactive intestinal peptide | [no description available] | medium | 7 | 0 | | |
rubidium | [no description available] | medium | 7 | 0 | alkali metal atom | |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 10 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
muramidase | [no description available] | medium | 7 | 0 | | |
deoxyglucose | [no description available] | medium | 11 | 0 | | |
leukotriene b4 | [no description available] | medium | 4 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
cyanogen bromide | [no description available] | medium | 2 | 0 | | |
potassium chloride | [no description available] | medium | 17 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 11 | 0 | | |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 7 | 0 | stilbenoid | |
nitrates | [no description available] | medium | 2 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
16,16-dimethylprostaglandin e2 | [no description available] | medium | 1 | 0 | cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol | anti-ulcer drug; gastrointestinal drug; radiation protective agent |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 10 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 9 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
fluoracizine | [no description available] | medium | 3 | 0 | phenothiazines | |
phenazepam | [no description available] | medium | 4 | 0 | | |
dihydroalprenolol | [no description available] | medium | 3 | 0 | | |
thiothixene | [no description available] | medium | 32 | 6 | thioxanthenes | |
phenylephrine | [no description available] | medium | 10 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
adtn | [no description available] | medium | 1 | 0 | | |
glucagon | [no description available] | medium | 14 | 0 | peptide hormone | |
dibutyryl cyclic gmp | [no description available] | medium | 4 | 0 | | |
1,2-cyclohexanedione | [no description available] | medium | 1 | 0 | cyclohexanedione | |
tiletamine hydrochloride | [no description available] | medium | 2 | 0 | | |
ammonium chloride | [no description available] | medium | 5 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
dihydroergotoxine | [no description available] | medium | 1 | 0 | | |
prenalterol | [no description available] | medium | 1 | 0 | aromatic ether | |
alpha-chymotrypsin | [no description available] | medium | 1 | 0 | | |
adenosine diphosphate | [no description available] | medium | 15 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
homocysteine | [no description available] | medium | 1 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
homocysteic acid | [no description available] | medium | 1 | 0 | homocysteic acid | NMDA receptor agonist |
hyaluronoglucosaminidase | [no description available] | medium | 2 | 0 | | |
vanadium | [no description available] | medium | 11 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
talipexole | [no description available] | medium | 2 | 0 | azepine | |
glyceraldehyde | [no description available] | medium | 1 | 0 | aldotriose | fundamental metabolite |
butaclamol | [no description available] | medium | 2 | 0 | | |
phosphocreatine | [no description available] | medium | 3 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
antimycin a | [no description available] | medium | 9 | 0 | amidobenzoic acid | |
isethionic acid | [no description available] | medium | 2 | 0 | alkanesulfonic acid | human metabolite |
gramicidin a | [no description available] | medium | 1 | 0 | | |
1-isoamyl-3-isobutylxanthine | [no description available] | medium | 1 | 0 | | |
cholecystokinin | [no description available] | medium | 2 | 0 | | |
thromboxane b2 | [no description available] | medium | 8 | 0 | thromboxanes B | human metabolite; mouse metabolite |
thromboxanes | [no description available] | medium | 2 | 0 | | |
dinoprost | [no description available] | medium | 7 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
oxalic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
oxalates | [no description available] | medium | 3 | 0 | | |
22-hydroxycholesterol | [no description available] | medium | 1 | 0 | cholanoid | |
trifluoperazine sulfoxide | [no description available] | medium | 6 | 0 | | |
mercuric chloride | [no description available] | medium | 2 | 0 | mercury coordination entity | sensitiser |
mercury | [no description available] | medium | 1 | 0 | elemental mercury; zinc group element atom | neurotoxin |
chromium | [no description available] | medium | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
fucose | [no description available] | medium | 1 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
digitonin | [no description available] | medium | 10 | 0 | | |
20-alpha-dihydroprogesterone | [no description available] | medium | 1 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
n-formylmethionine | [no description available] | medium | 4 | 0 | L-methionine derivative; N-formyl amino acid; proteinogenic amino acid | metabolite |
palmitoylcarnitine | [no description available] | medium | 4 | 0 | O-palmitoylcarnitine; saturated fatty acyl-L-carnitine | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite |
palmitoyl coenzyme a | [no description available] | medium | 1 | 0 | 11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate | Escherichia coli metabolite; mouse metabolite |
chlortetracycline | [no description available] | medium | 4 | 0 | | |
n-formylmethionyl-methionyl-phenylalanine | [no description available] | medium | 1 | 0 | | |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 5 | 0 | | |
harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
galactosamine | [no description available] | medium | 2 | 0 | D-galactosamine; primary amino compound | toxin |
valine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
lead | [no description available] | medium | 3 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
citric acid, anhydrous | [no description available] | medium | 4 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
barium | [no description available] | medium | 14 | 0 | alkaline earth metal atom; elemental barium | |
barium chloride | [no description available] | medium | 4 | 0 | barium salt; inorganic chloride | potassium channel blocker |
arsenazo iii | [no description available] | medium | 3 | 0 | | |
hydrogen | [no description available] | medium | 5 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
epidermal growth factor | [no description available] | medium | 12 | 0 | | |
adenylyl imidodiphosphate | [no description available] | medium | 2 | 0 | adenosine 5'-phosphate | |
hydroxyl radical | [no description available] | medium | 2 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
gastrins | [no description available] | medium | 3 | 0 | | |
phosphatidylinositol 4-phosphate | [no description available] | medium | 3 | 0 | | |
glucose-1,6-bisphosphate | [no description available] | medium | 3 | 0 | D-glucose 1,6-bisphosphate | Escherichia coli metabolite; human metabolite |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 9 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
2-(4-toluidino)-6-naphthalenesulfonic acid | [no description available] | medium | 1 | 0 | | |
technetium | [no description available] | medium | 2 | 0 | manganese group element atom | |
1-methylimidazole | [no description available] | medium | 1 | 0 | imidazoles | |
12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
lasalocid | [no description available] | medium | 1 | 0 | beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol | bacterial metabolite; coccidiostat; ionophore |
n-hydroxysuccinimide suberic acid ester | [no description available] | medium | 1 | 0 | | |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
teleocidin b-4 | [no description available] | medium | 1 | 0 | | |
threonine | [no description available] | medium | 1 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
caseins | [no description available] | medium | 3 | 0 | | |
phorbol-12,13-didecanoate | [no description available] | medium | 3 | 0 | | |
glucose, (beta-d)-isomer | [no description available] | medium | 5 | 0 | D-glucopyranose | epitope; mouse metabolite |
amsacrine | [no description available] | medium | 2 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
deoxycholic acid | [no description available] | medium | 3 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
guanylyl imidodiphosphate | [no description available] | medium | 5 | 0 | nucleoside triphosphate analogue | |
glycerol | [no description available] | medium | 5 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
imidazole | [no description available] | medium | 3 | 0 | imidazole | |
1-methyladenine | [no description available] | medium | 1 | 0 | | |
valinomycin | [no description available] | medium | 7 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
carbidopa | [no description available] | medium | 2 | 0 | | |
5-hydroxytryptophan | [no description available] | medium | 4 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
methylamine | [no description available] | medium | 4 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
enkephalin, leucine | [no description available] | medium | 6 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
tuftsin | [no description available] | medium | 1 | 0 | peptide | |
thymidine | [no description available] | medium | 8 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
cadmium | [no description available] | medium | 12 | 0 | cadmium molecular entity; zinc group element atom | |
w 12 | [no description available] | medium | 6 | 0 | naphthalenes; sulfonic acid derivative | |
ristocetin | [no description available] | medium | 1 | 0 | glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative | antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist |
hexadimethrine bromide | [no description available] | medium | 1 | 0 | | |
d-ala(2),mephe(4),met(0)-ol-enkephalin | [no description available] | medium | 1 | 0 | | |
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 |
prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 4 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
dihydroxyacetone | [no description available] | medium | 1 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
lysophosphatidylcholines | [no description available] | medium | 4 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
putrescine | [no description available] | medium | 4 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
sidnocarb | [no description available] | medium | 1 | 0 | | |
oxadiazoles | [no description available] | medium | 1 | 0 | | |
carbobenzoxyphenylalanylmethionine | [no description available] | medium | 1 | 0 | | |
caroverine | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
quinoxalines | [no description available] | medium | 3 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
darodipine | [no description available] | medium | 1 | 0 | | |
methandrostenolone | [no description available] | medium | 1 | 0 | organic molecular entity | |
fibrinogen | [no description available] | medium | 2 | 0 | iditol | fungal metabolite |
mastoparan | [no description available] | medium | 7 | 0 | mastoparans; peptidyl amide | antimicrobial agent |
zy 17617b | [no description available] | medium | 13 | 0 | | |
myelin basic protein | [no description available] | medium | 1 | 0 | | |
2,6-dichloroindophenol | [no description available] | medium | 1 | 0 | dichlorobenzene; quinone imine | |
tempo | [no description available] | medium | 1 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 1 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
citrulline | [no description available] | medium | 2 | 0 | amino acid zwitterion; citrulline | Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite |
masoprocol | [no description available] | medium | 10 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
taurine | [no description available] | medium | 11 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
arginyl-glycyl-aspartic acid | [no description available] | medium | 1 | 0 | oligopeptide | |
hydrogen carbonate | [no description available] | medium | 4 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
nitroarginine | [no description available] | medium | 4 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
canavanine | [no description available] | medium | 2 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | phytogenic insecticide; plant metabolite |
antipyrylazo iii | [no description available] | medium | 1 | 0 | | |
niflumic acid | [no description available] | medium | 4 | 0 | aromatic carboxylic acid; pyridines | |
resiniferatoxin | [no description available] | medium | 2 | 0 | carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone | analgesic; neurotoxin; plant metabolite; TRPV1 agonist |
pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 8 | 0 | 1,2-diglyceride | |
gibberellins | [no description available] | medium | 1 | 0 | | |
sodium cyanide | [no description available] | medium | 2 | 0 | cyanide salt; one-carbon compound; sodium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor |
alanine | [no description available] | medium | 4 | 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 |
arsenic acid | [no description available] | medium | 1 | 0 | arsenic oxoacid | Escherichia coli metabolite |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 11 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | [no description available] | medium | 4 | 0 | isoquinolines; sulfonamide | |
aluminum | [no description available] | medium | 2 | 0 | boron group element atom; elemental aluminium; metal atom | |
fluorexon | [no description available] | medium | 1 | 0 | xanthene dye | fluorochrome |
tert-butylhydroperoxide | [no description available] | medium | 5 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
calcein am | [no description available] | medium | 1 | 0 | 2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye | fluorochrome |
erythrosine | [no description available] | medium | 3 | 0 | | |
sk&f-38393 | [no description available] | medium | 2 | 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 | 1 | 0 | benzazepine | |
bombykol | [no description available] | medium | 1 | 0 | long-chain primary fatty alcohol | pheromone |
muscarine | [no description available] | medium | 1 | 0 | monosaccharide | |
lithium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
glycochenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid glycine conjugate | human metabolite |
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 |
ubenimex | [no description available] | medium | 1 | 0 | | |
thiorphan | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
mannose | [no description available] | medium | 1 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
cytidine diphosphate choline | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
fluorides | [no description available] | medium | 2 | 0 | halide anion; monoatomic fluorine | |
2-amino-5-phosphonovalerate | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 2 | 0 | quinoxaline derivative | |
glycine | [no description available] | medium | 6 | 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 |
quinpirole | [no description available] | medium | 1 | 0 | pyrazoloquinoline | dopamine agonist |
ergoline | [no description available] | medium | 1 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
ro13-9904 | [no description available] | medium | 1 | 0 | | |
azobis(isobutyronitrile) | [no description available] | medium | 1 | 0 | | |
tetrazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
spermine | [no description available] | medium | 8 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
spermidine | [no description available] | medium | 6 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
ifenprodil | [no description available] | medium | 2 | 0 | piperidines | |
phenyl acetate | [no description available] | medium | 7 | 0 | benzenes; phenyl acetates | |
xylenol orange | [no description available] | medium | 1 | 0 | | |
beta-escin | [no description available] | medium | 3 | 0 | triterpenoid saponin | |
atrial natriuretic factor | [no description available] | medium | 3 | 0 | polypeptide | |
8-((4-chlorophenyl)thio)cyclic-3',5'-amp | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound | protein kinase agonist |
chlorethylclonidine | [no description available] | medium | 1 | 0 | | |
aspartic acid | [no description available] | medium | 5 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
4-desmethoxyverapamil | [no description available] | medium | 1 | 0 | | |
quisqualic acid | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
raclopride | [no description available] | medium | 2 | 0 | salicylamides | |
n-n-propylnorapomorphine | [no description available] | medium | 1 | 0 | | |
metylperon | [no description available] | medium | 1 | 0 | aromatic ketone | |
peptide elongation factor 2 | [no description available] | medium | 4 | 0 | | |
cadmium chloride | [no description available] | medium | 4 | 0 | cadmium coordination entity | |
metallothionein | [no description available] | medium | 1 | 0 | | |
ly 274614 | [no description available] | medium | 1 | 0 | | |
zinc sulfate | [no description available] | medium | 2 | 0 | metal sulfate; zinc molecular entity | fertilizer |
n-acetylneuraminic acid | [no description available] | medium | 2 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
diamide | [no description available] | medium | 1 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
cytidine triphosphate | [no description available] | medium | 5 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
inosine triphosphate | [no description available] | medium | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
diazobenzenesulfonic acid | [no description available] | medium | 1 | 0 | | |
phorbol 12,13-dibutyrate | [no description available] | medium | 5 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
nsc 65346 | [no description available] | medium | 1 | 0 | nucleoside analogue | protein kinase inhibitor |
lucifer yellow | [no description available] | medium | 1 | 0 | organic lithium salt | fluorochrome |
nicorandil | [no description available] | medium | 1 | 0 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
cromakalim | [no description available] | medium | 1 | 0 | | |
n-cyano-n'-(2-nitroxyethyl)-3-pyridinecarboximidamide methanesulfonate | [no description available] | medium | 1 | 0 | | |
lactic acid | [no description available] | medium | 7 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
8-bromocyclic gmp | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
charybdotoxin | [no description available] | medium | 1 | 0 | | |
hydrochloric acid | [no description available] | medium | 4 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
desethylamiodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
dibenzepin | [no description available] | medium | 1 | 0 | dibenzodiazepine | |
ethidium | [no description available] | medium | 2 | 0 | phenanthridines | fluorochrome; intercalator |
n-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide | [no description available] | medium | 2 | 0 | | |
maitotoxin | [no description available] | medium | 2 | 0 | | |
safranine t | [no description available] | medium | 2 | 0 | organic chloride salt | fluorochrome; histological dye |
ferrous citrate | [no description available] | medium | 1 | 0 | | |
capsazepine | [no description available] | medium | 1 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
rimcazole | [no description available] | medium | 1 | 0 | carbazoles | |
fenton's reagent | [no description available] | medium | 1 | 0 | | |
mustard gas | [no description available] | medium | 2 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
dimethyl sulfoxide | [no description available] | medium | 7 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
fluorescein-5-isothiocyanate | [no description available] | medium | 2 | 0 | fluorescein isothiocyanate | |
n-nitrosomorpholine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent; mutagen |
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 |
ornithine | [no description available] | medium | 1 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
n(g)-iminoethylornithine | [no description available] | medium | 1 | 0 | L-alpha-amino acid | |
tissue plasminogen activator | [no description available] | medium | 1 | 0 | alpha-amino acid | |
technetium tc 99m exametazime | [no description available] | medium | 1 | 0 | | |
n,n'-diphenyl-4-phenylenediamine | [no description available] | medium | 1 | 0 | N-substituted diamine; secondary amino compound | antioxidant |
berberine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker |
carboxyatractyloside | [no description available] | medium | 1 | 0 | | |
atractyloside | [no description available] | medium | 1 | 0 | | |
resazurin | [no description available] | medium | 1 | 0 | phenoxazine | |
xanthenes | [no description available] | medium | 11 | 5 | xanthene | |
indo-1 | [no description available] | medium | 1 | 0 | indoles | fluorochrome |
ucn 1028 c | [no description available] | medium | 3 | 0 | | |
centchroman | [no description available] | medium | 1 | 0 | | |
cdri 85-287 | [no description available] | medium | 1 | 0 | | |
brazilin | [no description available] | medium | 1 | 0 | 1-benzopyran | |
moclobemide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
4-bromophenacyl bromide | [no description available] | medium | 6 | 0 | | |
xanthine | [no description available] | medium | 2 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
guanosine 5'-o-(2-thiodiphosphate) | [no description available] | medium | 1 | 0 | nucleoside diphosphate analogue | |
guanosine diphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
dizocilpine maleate | [no description available] | medium | 1 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine | [no description available] | medium | 1 | 0 | cyanine dye; indolium ion | fluorochrome |
carbocyanines | [no description available] | medium | 1 | 0 | cyanine dye; organic iodide salt | fluorochrome |
pyrrolidonecarboxylic acid | [no description available] | medium | 2 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
benzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
acridine half-mustard | [no description available] | medium | 1 | 0 | aminoacridines; aromatic ether; organochlorine compound; secondary amino compound | mutagen |
sodium bichromate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
chromates | [no description available] | medium | 1 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
flavin-adenine dinucleotide | [no description available] | medium | 3 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
palladium | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
tin | [no description available] | medium | 1 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
protein kinase c | [no description available] | medium | 1 | 0 | | |
7,8-dimethylalloxazine | [no description available] | medium | 2 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
lumiflavin | [no description available] | medium | 1 | 0 | flavin | |
thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
interleukin-8 | [no description available] | medium | 2 | 0 | | |
arabinogalactan | [no description available] | medium | 1 | 0 | | |
arabinose | [no description available] | medium | 1 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
galactose | [no description available] | medium | 6 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
apyrase | [no description available] | medium | 1 | 0 | | |
crocin | [no description available] | medium | 1 | 0 | | |
p(3)-1-(2-nitro)phenylethyladenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | | |
phenylalanylalanine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | metabolite |
raffinose | [no description available] | medium | 4 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
ethylisopropylamiloride | [no description available] | medium | 2 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
24,25-dihydroxyvitamin d 3 | [no description available] | medium | 1 | 0 | | |
ml 9 | [no description available] | medium | 3 | 0 | | |
ml 7 | [no description available] | medium | 1 | 0 | N-sulfonyldiazepane; organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
fm1 43 | [no description available] | medium | 1 | 0 | organic bromide salt; pyridinium salt; quaternary ammonium salt; tertiary amine | fluorochrome |
tetraethylammonium | [no description available] | medium | 2 | 0 | quaternary ammonium ion | |
venlafaxine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
u 18666a | [no description available] | medium | 2 | 0 | hydrochloride | antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor |
dinitrofluorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
calyculin a | [no description available] | medium | 1 | 0 | | |
kt 5720 | [no description available] | medium | 1 | 0 | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor |
adenosine-3',5'-cyclic phosphorothioate | [no description available] | medium | 1 | 0 | nucleoside 3',5'-cyclic phosphorothioate | |
5-(n,n-hexamethylene)amiloride | [no description available] | medium | 1 | 0 | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
pd 123319 | [no description available] | medium | 1 | 0 | imidazopyridine | angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent |
meglumine | [no description available] | medium | 2 | 0 | hexosamine; secondary amino compound | |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
dinitrobenzenes | [no description available] | medium | 2 | 0 | | |
diphenic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
pirmagrel | [no description available] | medium | 1 | 0 | | |
eflornithine | [no description available] | medium | 1 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
mdl 72527 | [no description available] | medium | 1 | 0 | | |
sodium selenite | [no description available] | medium | 1 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
3,4-dihydroxyphenylacetaldehyde | [no description available] | medium | 1 | 0 | alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
phenanthrenes | [no description available] | medium | 2 | 0 | | |
laurdan | [no description available] | medium | 1 | 0 | | |
2-(methylamino)isobutyric acid | [no description available] | medium | 1 | 0 | alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound | human urinary metabolite |
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid | [no description available] | medium | 1 | 0 | monoterpenoid | |
1-amino-1,3-dicarboxycyclopentane | [no description available] | medium | 1 | 0 | | |
domoic acid | [no description available] | medium | 1 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
cycloleucine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
b 1287 | [no description available] | medium | 1 | 0 | organic sodium salt | |
lipid a | [no description available] | medium | 1 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
e 5531 | [no description available] | medium | 1 | 0 | | |
phosphatidylethanol | [no description available] | medium | 1 | 0 | | |
11-cis-retinal | [no description available] | medium | 1 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
suramin | [no description available] | medium | 1 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
dihydropyridines | [no description available] | medium | 4 | 0 | | |
1,3-dibromo-5,5-dimethylhydantoin | [no description available] | medium | 1 | 0 | | |
bromine | [no description available] | medium | 2 | 0 | diatomic bromine | |
hydantoins | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
trehalose | [no description available] | medium | 1 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glutamyl-leucyl-threonyl-phenylalanyl-threonyl-prolyl-asparaginyl-tryptophanamide | [no description available] | medium | 1 | 0 | | |
diphenylhexatriene | [no description available] | medium | 1 | 0 | alkatriene | fluorochrome |
palmitic acid | [no description available] | medium | 2 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
methoxybenzanthrone | [no description available] | medium | 1 | 0 | | |
cosyntropin | [no description available] | medium | 1 | 0 | | |
piribedil | [no description available] | medium | 2 | 0 | N-arylpiperazine | |
cyamemazine | [no description available] | medium | 1 | 0 | phenothiazines | |
sulfur | [no description available] | medium | 1 | 0 | chalcogen; nonmetal atom | macronutrient |
uridine | [no description available] | medium | 3 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
nordefrin | [no description available] | medium | 1 | 0 | catecholamine | |
phenylphosphonothioic acid, 2-ethyl 2-(4-nitrophenyl) ester | [no description available] | medium | 1 | 0 | organic phosphonate; organothiophosphate insecticide; phosphonic ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
aminopyrine | [no description available] | medium | 2 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
oxotremorine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine | |
4-butyrolactone | [no description available] | medium | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
flavin mononucleotide | [no description available] | medium | 1 | 0 | | |
3-amino-6-methyl-5-phenyl-2(1h)-pyridinone | [no description available] | medium | 2 | 0 | | |
uridine triphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
wb 4101 | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxine; secondary amino compound | alpha-adrenergic antagonist |
malondialdehyde | [no description available] | medium | 3 | 0 | dialdehyde | biomarker |
methylnitronitrosoguanidine | [no description available] | medium | 1 | 0 | nitroso compound | alkylating agent |
flunitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
dicarbine | [no description available] | medium | 1 | 0 | | |
tiapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
neurokinin a | [no description available] | medium | 1 | 0 | | |
neurokinin b | [no description available] | medium | 1 | 0 | polypeptide | |
zinc chloride | [no description available] | medium | 2 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
fructose 2,6-diphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 2,6-bisphosphate | human metabolite; mouse metabolite |
antipain | [no description available] | medium | 1 | 0 | | |
1,2-didecanoylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride; decanoate ester | |
1,2-dioctanoylglycerol | [no description available] | medium | 2 | 0 | | |
lactobionic acid | [no description available] | medium | 1 | 0 | disaccharide | antioxidant |
diethylhexyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
sipi 549 | [no description available] | medium | 1 | 0 | | |
dithionitrobenzoic acid | [no description available] | medium | 3 | 0 | nitrobenzoic acid; organic disulfide | indicator |
azidopine | [no description available] | medium | 2 | 0 | benzamides | |
g(m1) ganglioside | [no description available] | medium | 2 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide | |
n-acetylneuraminyl cholesterol | [no description available] | medium | 1 | 0 | | |
desmosine | [no description available] | medium | 1 | 0 | aromatic amino acid | |
hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
phloretin | [no description available] | medium | 5 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
picumast | [no description available] | medium | 1 | 0 | | |
prenylamine lactate | [no description available] | medium | 2 | 0 | | |
aminopterin | [no description available] | medium | 1 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
nitrites | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
trimethyloxamine | [no description available] | medium | 1 | 0 | tertiary amine oxide | Escherichia coli metabolite; metabolite; osmolyte |
2-aminoisobutyric acid | [no description available] | medium | 1 | 0 | 2,2-dialkylglycine zwitterion; 2,2-dialkylglycine | |
n-(8-aminohexyl)-5-iodonaphthalene-1-sulfonamide | [no description available] | medium | 2 | 0 | | |
trinitrobenzenesulfonic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
kynurenic acid | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
elastin | [no description available] | medium | 3 | 0 | oligopeptide | |
acetylglucosamine | [no description available] | medium | 1 | 0 | N-acetyl-D-glucosamine | epitope |
asparagine | [no description available] | medium | 2 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
4-bromo-a-23187 | [no description available] | medium | 1 | 0 | | |
s-adenosylhomocysteine | [no description available] | medium | 1 | 0 | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
mezerein | [no description available] | medium | 3 | 0 | diterpenoid | |
tolfenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
ud cg 212 cl | [no description available] | medium | 1 | 0 | | |
idazoxan | [no description available] | medium | 2 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
spiroxatrine | [no description available] | medium | 1 | 0 | imidazolidines | |
bmy 7378 | [no description available] | medium | 1 | 0 | | |
androstenedione | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
c-peptide | [no description available] | medium | 1 | 0 | | |
buserelin | [no description available] | medium | 1 | 0 | oligopeptide | |
thromboplastin | [no description available] | medium | 1 | 0 | | |
neurotensin | [no description available] | medium | 3 | 0 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
tamoxifen aziridine | [no description available] | medium | 1 | 0 | | |
3-nitrophenol | [no description available] | medium | 1 | 0 | 3-nitrophenols | |
triphenylphosphine | [no description available] | medium | 1 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
quin2 | [no description available] | medium | 5 | 0 | | |
ha 1004 | [no description available] | medium | 1 | 0 | isoquinolines | |
lignans | [no description available] | medium | 2 | 0 | | |
2,3-dibenzylbutane-1,4-diol | [no description available] | medium | 1 | 0 | | |
adenosine diphosphate ribose | [no description available] | medium | 2 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
gamma-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
pyrophosphate | [no description available] | medium | 2 | 0 | diphosphate ion | |
carboprostacyclin | [no description available] | medium | 1 | 0 | prostanoid | |
bamipine | [no description available] | medium | 1 | 0 | aromatic amine | |
chlorphenoxamine | [no description available] | medium | 1 | 0 | diarylmethane | anticoronaviral agent |
daurisoline | [no description available] | medium | 1 | 0 | isoquinolines | |
dequalinium | [no description available] | medium | 1 | 0 | quinolinium ion | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
methionine sulfoximine | [no description available] | medium | 2 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
buthionine sulfoximine | [no description available] | medium | 1 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
mannosamine | [no description available] | medium | 1 | 0 | D-mannosamine | |
p-chloromercuribenzoic acid | [no description available] | medium | 1 | 0 | chlorine molecular entity; mercuribenzoic acid | |
n-methylscopolamine | [no description available] | medium | 1 | 0 | | |
isoxazoles | [no description available] | medium | 1 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
alpha-aminopyridine | [no description available] | medium | 2 | 0 | | |
25-hydroxycholesterol | [no description available] | medium | 2 | 0 | 25-hydroxy steroid; oxysterol | human metabolite |
acetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
mevalonic acid | [no description available] | medium | 1 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
mevalonolactone | [no description available] | medium | 1 | 0 | 4-hydroxy-4-methyloxan-2-one | fungal metabolite; plant metabolite |
6-deoxyglucose | [no description available] | medium | 1 | 0 | quinovose | |
cgp 28392 | [no description available] | medium | 1 | 0 | aromatic ether | |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 2 | 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 |
9-(2-hydroxy-3-nonyl)adenine | [no description available] | medium | 1 | 0 | | |
3,4,5-trimethoxybenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids; methoxybenzenes | human urinary metabolite; human xenobiotic metabolite; plant metabolite |
metofenazate | [no description available] | medium | 3 | 0 | N-alkylpiperazine; organochlorine compound; phenothiazines | |
2',7'-bis-(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester | [no description available] | medium | 1 | 0 | | |
fibrin | [no description available] | medium | 2 | 0 | peptide | |
lithium carbonate | [no description available] | medium | 2 | 0 | carbonate salt; lithium salt | antimanic drug |
acetaldehyde | [no description available] | medium | 1 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
5-dimethylamiloride | [no description available] | medium | 1 | 0 | | |
thromboxane a2 | [no description available] | medium | 1 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 2 | 0 | | |
bathophenanthroline | [no description available] | medium | 2 | 0 | benzenes; phenanthrolines | chelator |
1,7-phenanthroline | [no description available] | medium | 3 | 0 | phenanthroline | |
tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 2 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
inositol-1,3,4,5-tetrakisphosphate | [no description available] | medium | 1 | 0 | inositol phosphate | |
methaqualone | [no description available] | medium | 2 | 0 | quinazolines | GABA agonist; sedative |
mersalyl | [no description available] | medium | 1 | 0 | | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 2 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
centbutindole | [no description available] | medium | 1 | 1 | beta-carbolines | |
pyrazines | [no description available] | medium | 1 | 1 | diazine; pyrazines | Daphnia magna metabolite |
chlorine | [no description available] | medium | 2 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
potassium cyanide | [no description available] | medium | 3 | 0 | cyanide salt; one-carbon compound; potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin |
triethanolamine | [no description available] | medium | 1 | 0 | amino alcohol; tertiary amino compound; triol | buffer; surfactant |
pk 11195 | [no description available] | medium | 1 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
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 |
bw-755c | [no description available] | medium | 4 | 0 | | |
cd 349 | [no description available] | medium | 1 | 0 | | |
cobrotoxin | [no description available] | medium | 1 | 0 | | |
alpha-cobratoxin | [no description available] | medium | 1 | 0 | | |
lutetium | [no description available] | medium | 1 | 0 | d-block element atom; lanthanoid atom | |
terbium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
12-o-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate | [no description available] | medium | 1 | 0 | | |
ceruletide | [no description available] | medium | 1 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
chlordiazepoxide, clidinium drug combination | [no description available] | medium | 1 | 0 | | |
quinuclidines | [no description available] | medium | 1 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
technetium tc 99m medronate | [no description available] | medium | 1 | 0 | | |
flupenthixol decanoate | [no description available] | medium | 1 | 0 | | |
lisuride | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
benzofurans | [no description available] | medium | 2 | 0 | | |
bis(1,3-diethylthiobarbiturate)trimethineoxonol | [no description available] | medium | 1 | 0 | | |
n-benzyladriamycin-14-valerate | [no description available] | medium | 1 | 0 | | |
nogalamycin | [no description available] | medium | 1 | 0 | | |
menogaril | [no description available] | medium | 1 | 0 | | |
n,n-dibenzyldaunorubicin | [no description available] | medium | 1 | 0 | | |
beta-endorphin | [no description available] | medium | 1 | 0 | | |
chitosan | [no description available] | medium | 1 | 0 | | |
fenclonine | [no description available] | medium | 2 | 0 | phenylalanine derivative | |
tempocholine | [no description available] | medium | 1 | 0 | | |
bromide | [no description available] | medium | 1 | 0 | halide anion; monoatomic bromine | |
triiodothyronine, reverse | [no description available] | medium | 1 | 0 | 3,3',5'-triiodothyronine; amino acid zwitterion | |
tosyllysine chloromethyl ketone | [no description available] | medium | 2 | 0 | sulfonic acid derivative | |
tosylarginine methyl ester | [no description available] | medium | 2 | 0 | guanidines; L-arginine ester; methyl ester; sulfonamide | |
retinaldehyde | [no description available] | medium | 1 | 0 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
dolichols | [no description available] | medium | 1 | 0 | polyterpene | |
dehydroepiandrosterone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid; steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite |
ecdysone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid | prohormone |
pyocyanine | [no description available] | medium | 1 | 0 | iminium betaine; phenazines | antibacterial agent; bacterial metabolite; biological pigment; virulence factor |
taurochenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | human metabolite; mouse metabolite |
propentofylline | [no description available] | medium | 1 | 0 | oxopurine | |
antimony | [no description available] | medium | 1 | 0 | metalloid atom; pnictogen | |
pyroantimonate | [no description available] | medium | 1 | 0 | | |
cdp ethanolamine | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s; phosphoethanolamine | mouse metabolite |
cytidine diphosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite |
quin2-acetoxymethyl ester | [no description available] | medium | 1 | 0 | | |
lhrh, gln(8)- | [no description available] | medium | 1 | 0 | | |
iodine | [no description available] | medium | 4 | 0 | halide anion; monoatomic iodine | human metabolite |
1,6-bis(cyclohexyloximinocarbonyl)hexane | [no description available] | medium | 1 | 0 | carbamate ester; organonitrogen compound | |
phenylalanine | [no description available] | medium | 4 | 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 |
3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
preproenkephalin | [no description available] | medium | 1 | 0 | | |
galactose | [no description available] | medium | 1 | 0 | | |
ouabagenin | [no description available] | medium | 1 | 0 | 1-hydroxy steroid; 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 19-hydroxy steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
2-n-propyl-3-dimethylamino-5,6-methylenedioxyindene | [no description available] | medium | 1 | 0 | | |
cortodoxone | [no description available] | medium | 1 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
triamcinolone acetonide | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
neuropeptide y | [no description available] | medium | 1 | 0 | | |
motilin | [no description available] | medium | 1 | 0 | | |
losartan potassium | [no description available] | medium | 1 | 0 | | |
nimustine | [no description available] | medium | 3 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
anisomycin | [no description available] | medium | 1 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
oxazolone | [no description available] | medium | 1 | 0 | | |
clorgyline | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
triphenylethylene | [no description available] | medium | 1 | 0 | stilbenoid | |
stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent; protein denaturant |
4-toluidine | [no description available] | medium | 1 | 0 | aminotoluene | |
4-nitrophenylphosphate | [no description available] | medium | 1 | 0 | aryl phosphate | mouse metabolite |
cyclosporin d | [no description available] | medium | 1 | 0 | | |
cyclosporin h | [no description available] | medium | 1 | 0 | | |
alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
5'-adenylyl (beta,gamma-methylene)diphosphonate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
valrubicin | [no description available] | medium | 2 | 0 | anthracycline; trifluoroacetamide | |
ginkgolide b | [no description available] | medium | 1 | 0 | | |
molybdenum | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
molybdate ion | [no description available] | medium | 1 | 0 | divalent inorganic anion; molybdenum oxoanion | Escherichia coli metabolite |
1-ethyl-2-pyrrolidinylmethyl-alpha-phenylcyclopentylglycolate, 1-ethyl-3-piperidyl-alpha-phenylcyclopentylglycolate drug combination | [no description available] | medium | 1 | 0 | | |
fluorocitrate | [no description available] | medium | 1 | 0 | carbonyl compound | |
5-hydroxy-6,8,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HETE | human metabolite; mouse metabolite |
methylglucoside | [no description available] | medium | 1 | 0 | | |
veratrine | [no description available] | medium | 1 | 0 | alkaloid | |
octopamine | [no description available] | medium | 1 | 0 | phenylethanolamines; tyramines | neurotransmitter |
pirarubicin | [no description available] | medium | 1 | 0 | anthracycline | |
acrylamide | [no description available] | medium | 1 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
pyrimidine dimers | [no description available] | medium | 1 | 0 | | |
strophanthidin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde | |
hexacyanoferrate iii | [no description available] | medium | 1 | 0 | | |
dihydrocytochalasin b | [no description available] | medium | 1 | 0 | | |
azepexole | [no description available] | medium | 1 | 0 | | |
barbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; xenobiotic |
pyridoxal phosphate | [no description available] | medium | 2 | 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 |
phlorhizin | [no description available] | medium | 1 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
n,n-dimethyltryptamine | [no description available] | medium | 1 | 0 | tryptamine alkaloid; tryptamines | |
fumarates | [no description available] | medium | 2 | 1 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
nikethamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
bemegride | [no description available] | medium | 2 | 0 | piperidones | |
tremorine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine | |
lobeline | [no description available] | medium | 1 | 0 | | |
paraoxon | [no description available] | medium | 2 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
pentaerythritol tetranitrate | [no description available] | medium | 3 | 0 | pentaerythritol nitrate | explosive; vasodilator agent |
paraldehyde | [no description available] | medium | 2 | 0 | trioxane | sedative |
firefly luciferin | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate | luciferin |
meclofenoxate | [no description available] | medium | 2 | 0 | monocarboxylic acid | |
sulfites | [no description available] | medium | 1 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
nandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
chlormethiazole | [no description available] | medium | 2 | 0 | thiazoles | |
morphinans | [no description available] | medium | 1 | 0 | isoquinoline alkaloid fundamental parent; morphinane alkaloid | |
acid phosphatase | [no description available] | medium | 2 | 0 | | |
chloral hydrate | [no description available] | medium | 1 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
pentazocine | [no description available] | medium | 1 | 0 | benzazocine | |
heroin | [no description available] | medium | 1 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
benperidol | [no description available] | medium | 3 | 0 | aromatic ketone | |
chlorisondamine | [no description available] | medium | 1 | 0 | isoindoles | |
vitamin b 12 | [no description available] | medium | 1 | 0 | | |
carbonates | [no description available] | medium | 1 | 0 | carbon oxoanion | |
deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
methylene blue | [no description available] | medium | 1 | 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 |
carbamates | [no description available] | medium | 1 | 0 | amino-acid anion | |
chloralose | [no description available] | medium | 1 | 0 | | |
sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
psilocybin | [no description available] | medium | 1 | 0 | organic phosphate; tertiary amino compound; tryptamine alkaloid | fungal metabolite; hallucinogen; prodrug; serotonergic agonist |
mescaline | [no description available] | medium | 1 | 0 | methoxybenzenes; phenethylamine alkaloid; primary amino compound | hallucinogen |
sabinene | [no description available] | medium | 2 | 0 | thujene | plant metabolite |
eye | [no description available] | medium | 4 | 1 | | |
exudates | [no description available] | medium | 2 | 0 | | |
fomesafen | [no description available] | medium | 13 | 1 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
4-methoxyamphetamine | [no description available] | medium | 1 | 0 | | |
ego | [no description available] | medium | 1 | 1 | | |
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone | [no description available] | medium | 5 | 0 | dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols | eukaryotic metabolite; signalling molecule |
isomethyleugenol | [no description available] | medium | 7 | 0 | isomethyleugenol | |
torpedo | [no description available] | medium | 5 | 0 | | |
khellin | [no description available] | medium | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | benzodioxoles | |
apnea | [no description available] | medium | 1 | 0 | purine nucleoside | |
humulene | [no description available] | medium | 2 | 1 | alpha-humulene | |
propiomazine | [no description available] | medium | 0 | 0 | aromatic ketone; phenothiazines; tertiary amino compound | dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist |
thiopropazate | [no description available] | medium | 0 | 0 | acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
methiothepin | [no description available] | medium | 0 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol | [no description available] | low | 0 | 0 | benzazepine; organochlorine compound; tertiary amino compound | dopaminergic antagonist |
azaperone | [no description available] | medium | 0 | 0 | aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist |
butaclamol | [no description available] | low | 0 | 0 | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist |
spiramide | [no description available] | medium | 0 | 0 | aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; serotonergic antagonist |
tetrahydropalmatine | [no description available] | low | 0 | 0 | an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound | adrenergic agent; dopaminergic antagonist; non-narcotic analgesic |
aj 76 | [no description available] | low | 0 | 0 | secondary amino compound; tetralins | dopaminergic 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 |
nafadotride | [no description available] | low | 0 | 0 | aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound | dopaminergic antagonist |
lurasidone hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic antagonist; dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
pipamperone dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
buclizine | [no description available] | medium | 0 | 0 | monochlorobenzenes; N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic |
zingerone | [no description available] | low | 0 | 0 | methyl ketone; monomethoxybenzene; phenols | anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent |
alosetron hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antiemetic; serotonergic antagonist |
fk 1052 | [no description available] | low | 0 | 0 | imidazoles; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
pachypodol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antiemetic; plant metabolite |
cyclizine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist |
netupitant | [no description available] | medium | 0 | 0 | aminopyridine; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; toluenes | antiemetic; neurokinin-1 receptor antagonist |
rs 25259-197 | [no description available] | low | 0 | 0 | hydrochloride | antiemetic; serotonergic antagonist |
rolapitant | [no description available] | medium | 0 | 0 | azaspiro compound; ether; organofluorine compound; piperidines; pyrrolidin-2-ones | antiemetic; neurokinin-1 receptor antagonist |
cupric chloride | [no description available] | low | 0 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
loceryl | [no description available] | low | 0 | 0 | morpholine antifungal drug; tertiary amino compound | EC 1.14.13.132 (squalene monooxygenase) inhibitor; EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
fonazine | [no description available] | low | 0 | 0 | phenothiazines | |
mequitazine | [no description available] | low | 0 | 0 | phenothiazines | |
metiazinic acid | [no description available] | low | 0 | 0 | phenothiazines | drug allergen; non-steroidal anti-inflammatory drug |
thiazinamium | [no description available] | low | 0 | 0 | phenothiazines | |
pyrathiazine | [no description available] | low | 0 | 0 | phenothiazines | |
oxomemazine | [no description available] | low | 0 | 0 | phenothiazines | |
piperacetazine | [no description available] | low | 0 | 0 | phenothiazines | |
metopimazine | [no description available] | low | 0 | 0 | phenothiazines | |
sulforidazine | [no description available] | low | 0 | 0 | phenothiazines | |
pipothiazine palmitate | [no description available] | low | 0 | 0 | phenothiazines | |
perphenazine decanoate | [no description available] | low | 0 | 0 | phenothiazines | |
promethazine sulfoxide | [no description available] | low | 0 | 0 | phenothiazines | |
fluphenazine hydrochloride | [no description available] | low | 0 | 0 | phenothiazines | anticoronaviral agent |
fenethazine | [no description available] | low | 0 | 0 | phenothiazines | |
10H-phenothiazine 5-oxide | [no description available] | low | 0 | 0 | phenothiazines | |
n-methylphenothiazine | [no description available] | low | 0 | 0 | phenothiazines | |
fenoverine | [no description available] | low | 0 | 0 | phenothiazines | |
1-(10-methyl-2-phenothiazinyl)ethanone | [no description available] | low | 0 | 0 | phenothiazines | |
thioproperazine mesylate | [no description available] | low | 0 | 0 | phenothiazines | |
ethacizine | [no description available] | low | 0 | 0 | phenothiazines | |
sk&f 7172-a2 | [no description available] | low | 0 | 0 | phenothiazines | |
hydromethylthionine | [no description available] | low | 0 | 0 | aromatic amine; phenothiazines; tertiary amino compound | bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite |
3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanone | [no description available] | low | 0 | 0 | phenothiazines | |
chlorpromazine n-oxide | [no description available] | low | 0 | 0 | organochlorine compound; phenothiazines; tertiary amine oxide | metabolite |
10-methyl-3-phenothiazinamine | [no description available] | low | 0 | 0 | phenothiazines | |
1-(2-chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone | [no description available] | low | 0 | 0 | phenothiazines | |
darunavir ethanolate | [no description available] | low | 0 | 0 | phenothiazines | |
1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol | [no description available] | low | 0 | 0 | phenothiazines | |
2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide | [no description available] | low | 0 | 0 | phenothiazines | |
(4-methylphenyl)-(10-phenothiazinyl)methanone | [no description available] | low | 0 | 0 | phenothiazines | |
methotrimeprazine sulfoxide | [no description available] | low | 0 | 0 | phenothiazines | |
benefin | [no description available] | low | 0 | 0 | C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound | agrochemical; herbicide |
cgs 12066 | [no description available] | low | 0 | 0 | N-arylpiperazine; organofluorine compound; pyrroloquinoxaline | serotonergic agonist |
fludiazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; organochlorine compound; organofluorine compound | anxiolytic drug |
flumequine | [no description available] | low | 0 | 0 | 3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic | |
vanoxerine | [no description available] | low | 0 | 0 | ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound | dopamine uptake inhibitor |
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 |
fluoroacetic acid | [no description available] | low | 0 | 0 | haloacetic acid; organofluorine compound | EC 4.2.1.3 (aconitate hydratase) inhibitor |
tosufloxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound | |
zardaverine | [no description available] | low | 0 | 0 | organofluorine compound; pyridazinone | anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug |
1,1-difluoroethylene | [no description available] | low | 0 | 0 | olefinic compound; organofluorine compound | |
chloropentafluoroethane | [no description available] | low | 0 | 0 | organochlorine compound; organofluorine compound | |
2-fluoroadenosine | [no description available] | low | 0 | 0 | adenosines; organofluorine compound | |
perfluorotributylamine | [no description available] | low | 0 | 0 | organofluorine compound | blood substitute; greenhouse gas; solvent |
5-fluorouridine | [no description available] | low | 0 | 0 | organofluorine compound; uridines | mutagen |
5-fluorotryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; organofluorine compound; tryptophan derivative | |
bromochlorodifluoromethane | [no description available] | low | 0 | 0 | one-carbon compound; organobromine compound; organochlorine compound; organofluorine compound | |
difluoroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; organofluorine compound | |
fluroxene | [no description available] | low | 0 | 0 | organofluorine compound | |
2,3,4,5,6-pentafluorobenzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols; organofluorine compound | |
2-fluoroadenine | [no description available] | low | 0 | 0 | organofluorine compound; purines | antineoplastic agent |
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide | [no description available] | low | 0 | 0 | organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides | antifungal agrochemical; genotoxin |
dichlofluanid | [no description available] | low | 0 | 0 | organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides | acaricide; antifungal agrochemical |
5-fluorocytidine | [no description available] | low | 0 | 0 | cytidines; organofluorine compound | |
doxifluridine | [no description available] | low | 0 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
flubendazole | [no description available] | low | 0 | 0 | aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound | antinematodal drug; teratogenic agent |
flunixin | [no description available] | low | 0 | 0 | aminopyridine; organofluorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
acifluorfen | [no description available] | low | 0 | 0 | aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
triflumuron | [no description available] | low | 0 | 0 | aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound | |
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound | environmental contaminant; herbicide; xenobiotic |
haloxyfop | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines | |
fluazifop-butyl | [no description available] | low | 0 | 0 | aromatic ether; carboxylic ester; organofluorine compound; pyridines | |
gemcitabine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; organofluorine compound | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent |
4-fluorofentanyl | [no description available] | low | 0 | 0 | monocarboxylic acid amide; organofluorine compound; piperidines | |
heptafluorobutyric anhydride | [no description available] | low | 0 | 0 | acyclic carboxylic anhydride; organofluorine compound | chromatographic reagent |
perfluorotripropylamine | [no description available] | low | 0 | 0 | organofluorine compound | blood substitute |
3-fluoropyruvate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; organofluorine compound | |
halopropane | [no description available] | low | 0 | 0 | organofluorine compound | |
flurithromycin | [no description available] | low | 0 | 0 | cyclic ketone; erythromycin derivative; organofluorine compound; semisynthetic derivative | antibacterial drug |
fluphenacur | [no description available] | low | 0 | 0 | aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound | |
nucleocidin | [no description available] | low | 0 | 0 | 6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester | antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug |
fluoroacetaldehyde | [no description available] | low | 0 | 0 | aldehyde; organofluorine compound | cardiotoxic agent |
fc 75 | [no description available] | low | 0 | 0 | alkyltetrahydrofuran; organofluorine compound | |
tetraconazole | [no description available] | low | 0 | 0 | dichlorobenzene; ether; organofluorine compound; triazoles | |
hei 712 | [no description available] | low | 0 | 0 | organofluorine compound; quinolone | |
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide | [no description available] | low | 0 | 0 | dichlorobenzene; organofluorine compound; sulfonamide; triazoles | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
thifluzamide | [no description available] | low | 0 | 0 | 1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
fludioxonil | [no description available] | low | 0 | 0 | benzodioxoles; nitrile; organofluorine compound; pyrroles | androgen antagonist; antifungal agrochemical; estrogen receptor agonist |
fluquinconazole | [no description available] | low | 0 | 0 | conazole fungicide; dichlorobenzene; organofluorine compound; quinazolines; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
cloransulam-methyl | [no description available] | low | 0 | 0 | methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide |
fluazifop | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; organofluorine compound; pyridines | |
dithiopyr | [no description available] | low | 0 | 0 | organofluorine compound; pyridines; thioester | |
s 53482 | [no description available] | low | 0 | 0 | benzoxazine; dicarboximide; organofluorine compound; terminal acetylenic compound | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide; teratogenic agent |
clodinafop-propargyl | [no description available] | low | 0 | 0 | aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines | agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide |
triflusulfuron-methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide |
novaluron | [no description available] | low | 0 | 0 | aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound | |
cyfluthrin | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester insecticide |
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether | [no description available] | low | 0 | 0 | organofluorine compound | |
florfenicol | [no description available] | low | 0 | 0 | organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone | antimicrobial agent |
sc 58125 | [no description available] | low | 0 | 0 | organofluorine compound; pyrazoles; sulfone | antineoplastic agent; cyclooxygenase 2 inhibitor |
5-fluoromethylornithine | [no description available] | low | 0 | 0 | organofluorine compound; ornithine derivative | EC 2.6.1.13 (ornithine aminotransferase) inhibitor |
nitroflurbiprofen | [no description available] | low | 0 | 0 | biphenyls; carboxylic ester; nitrate ester; organofluorine compound | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent |
ezogabine | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; secondary amino compound; substituted aniline | anticonvulsant; potassium channel modulator |
garenoxacin | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; non-steroidal anti-inflammatory drug |
5-fluorowillardiine | [no description available] | low | 0 | 0 | L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound | AMPA receptor agonist |
perfluoro-n-methyldecahydroisoquinoline | [no description available] | low | 0 | 0 | organofluorine compound | blood substitute |
fc 80 | [no description available] | low | 0 | 0 | alkyltetrahydrofuran; organofluorine compound | |
5-fluorouridine 5'-phosphate | [no description available] | low | 0 | 0 | organofluorine compound; pyrimidine ribonucleoside 5'-monophosphate | drug metabolite |
canertinib | [no description available] | low | 0 | 0 | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
jte 522 | [no description available] | low | 0 | 0 | 1,3-oxazoles; organofluorine compound; sulfonamide | cyclooxygenase 2 inhibitor |
trifluoromethionine | [no description available] | low | 0 | 0 | L-methionine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound | |
cimicoxib | [no description available] | low | 0 | 0 | aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
diflomotecan | [no description available] | low | 0 | 0 | epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
5',5',5'-trifluoroleucine | [no description available] | low | 0 | 0 | leucine derivative; non-proteinogenic alpha-amino acid; organofluorine compound | |
sorbinil | [no description available] | low | 0 | 0 | azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor |
2'-deoxy-2-fluoroadenosine | [no description available] | low | 0 | 0 | adenosines; organofluorine compound | |
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | [no description available] | low | 0 | 0 | 6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound | antineoplastic agent; Hsp90 inhibitor |
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 |
favipiravir | [no description available] | low | 0 | 0 | hydroxypyrazine; organofluorine compound; primary carboxamide | anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor |
ck-0944666 | [no description available] | low | 0 | 0 | benzamides; indoles; organofluorine compound | actin polymerisation inhibitor |
2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one | [no description available] | low | 0 | 0 | organofluorine compound | |
4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid | [no description available] | low | 0 | 0 | organofluorine compound | |
transfluthrin | [no description available] | low | 0 | 0 | carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester insecticide |
4-(4-fluorophenyl)-3H-thiazole-2-thione | [no description available] | low | 0 | 0 | organofluorine compound | |
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | organofluorine compound | |
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide | [no description available] | low | 0 | 0 | organofluorine compound | |
1-(cycloheptylideneamino)-3-(4-fluorophenyl)thiourea | [no description available] | low | 0 | 0 | organofluorine compound | |
2-(2-fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone | [no description available] | low | 0 | 0 | organofluorine compound | |
N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | organofluorine compound | |
N-(4-fluorobenzyl)urea | [no description available] | low | 0 | 0 | organofluorine compound | |
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide | [no description available] | low | 0 | 0 | organofluorine compound | |
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate | [no description available] | low | 0 | 0 | ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide | |
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate | [no description available] | low | 0 | 0 | acetylenic compound; furans; organofluorine compound; thioester; triazoles | |
4-[1-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | organofluorine compound | |
1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | organofluorine compound | |
zd 6474 | [no description available] | low | 0 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | [no description available] | low | 0 | 0 | organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound | |
1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide | [no description available] | low | 0 | 0 | organofluorine compound | |
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester | [no description available] | low | 0 | 0 | organofluorine compound | |
sc 560 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug |
1-[(2-fluorophenyl)methyl]-4-pyrazolamine | [no description available] | low | 0 | 0 | organofluorine compound | |
3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea | [no description available] | low | 0 | 0 | organofluorine compound | |
ro 60-0175 | [no description available] | low | 0 | 0 | indoles; organochlorine compound; organofluorine compound; primary amino compound | |
arachidonyltrifluoromethane | [no description available] | low | 0 | 0 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
cyhalothrin | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
sulindac sulfide | [no description available] | low | 0 | 0 | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
bw b70c | [no description available] | low | 0 | 0 | aromatic ether; hydroxamic acid; organofluorine compound; ureas | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
sulindac sulfone | [no description available] | low | 0 | 0 | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
clodinafop | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines | EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide |
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; organofluorine compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
z-val-ala-asp(ome)-fluoromethylketone | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; tripeptide | apoptosis inhibitor; protease inhibitor |
robenacoxib | [no description available] | low | 0 | 0 | aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
acrinathrin | [no description available] | low | 0 | 0 | cyclopropanecarboxylate ester; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide |
bifenthrin | [no description available] | low | 0 | 0 | carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide |
flibanserin | [no description available] | low | 0 | 0 | benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound | antidepressant; serotonergic agonist; serotonergic antagonist |
ru 58668 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
nepicastat | [no description available] | low | 0 | 0 | 1,3-dihydroimidazole-2-thiones; organofluorine compound; primary amino compound; tetralins | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor |
gw 501516 | [no description available] | low | 0 | 0 | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
noviflumuron | [no description available] | low | 0 | 0 | aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound | |
flonicamid | [no description available] | low | 0 | 0 | nitrile; organofluorine compound; pyridinecarboxamide | environmental contaminant; insecticide; xenobiotic |
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide | [no description available] | low | 0 | 0 | organofluorine compound; pyrazoles; sulfonamide | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
tafluprost | [no description available] | low | 0 | 0 | isopropyl ester; organofluorine compound; prostaglandins Falpha | prostaglandin receptor agonist |
ticagrelor | [no description available] | low | 0 | 0 | aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines | P2Y12 receptor antagonist; platelet aggregation inhibitor |
am 694 | [no description available] | low | 0 | 0 | aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid | cannabinoid receptor agonist |
NNC 55-0396 (free base) | [no description available] | low | 0 | 0 | benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker |
osu 03012 | [no description available] | low | 0 | 0 | antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
vorapaxar | [no description available] | low | 0 | 0 | carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines | cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist |
bibw 2992 | [no description available] | low | 0 | 0 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
r-138727 | [no description available] | low | 0 | 0 | organofluorine compound | |
fluoxastrobin | [no description available] | low | 0 | 0 | aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
flumorph | [no description available] | low | 0 | 0 | aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide | |
fluopicolide | [no description available] | low | 0 | 0 | benzamide fungicide; benzamides; dichlorobenzene; monochloropyridine; organofluorine compound | antifungal agrochemical |
gamendazole | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound | antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive |
tedizolid | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles | antimicrobial agent; drug metabolite; protein synthesis inhibitor |
rx-3117 | [no description available] | low | 0 | 0 | organofluorine compound; primary allylic alcohol; triol | antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug |
picoxystrobin | [no description available] | low | 0 | 0 | aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
bay 63-2521 | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine | antihypertensive agent; soluble guanylate cyclase activator |
penthiopyrad | [no description available] | low | 0 | 0 | aromatic amide; organofluorine compound; pyrazoles; thiophenes | |
tedizolid phosphate | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles | antimicrobial agent; prodrug; protein synthesis inhibitor |
tavaborole | [no description available] | low | 0 | 0 | benzoxaborole; organofluorine compound | antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor |
tembotrione | [no description available] | low | 0 | 0 | aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone | agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide |
finafloxacin | [no description available] | low | 0 | 0 | cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound | antibacterial drug; antimicrobial agent |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
idelalisib | [no description available] | low | 0 | 0 | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
zstk474 | [no description available] | low | 0 | 0 | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
trifloxystrobin | [no description available] | low | 0 | 0 | methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide | [no description available] | low | 0 | 0 | aromatic amide; organofluorine compound; pyrazoles | |
n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide | [no description available] | low | 0 | 0 | aromatic amide; cyclopropanes; organofluorine compound; pyrazoles; ring assembly | |
butafenacil | [no description available] | low | 0 | 0 | benzoate ester; diester; monochlorobenzenes; olefinic compound; organofluorine compound | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
bgt226 | [no description available] | low | 0 | 0 | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
buparlisib | [no description available] | low | 0 | 0 | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
lumacaftor | [no description available] | low | 0 | 0 | aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines | CFTR potentiator; orphan drug |
ro5126766 | [no description available] | low | 0 | 0 | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sulfoxaflor | [no description available] | low | 0 | 0 | nitrile; organofluorine compound; pyridines; sulfoximide | |
ph 797804 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
lde225 | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
dafadine D | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines | P450 inhibitor |
canagliflozin | [no description available] | low | 0 | 0 | C-glycosyl compound; organofluorine compound; thiophenes | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
florbetapir f 18 | [no description available] | low | 0 | 0 | (18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline | radioactive imaging agent |
navitoclax | [no description available] | low | 0 | 0 | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
dcc-2036 | [no description available] | low | 0 | 0 | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
cabozantinib | [no description available] | low | 0 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
pexidartinib | [no description available] | low | 0 | 0 | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
TAK-580 | [no description available] | low | 0 | 0 | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
dabrafenib | [no description available] | low | 0 | 0 | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor |
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid | [no description available] | low | 0 | 0 | organofluorine compound | non-steroidal anti-inflammatory drug |
torin 1 | [no description available] | low | 0 | 0 | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
ro 4929097 | [no description available] | low | 0 | 0 | dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound | EC 3.4.23.46 (memapsin 2) inhibitor |
torin 2 | [no description available] | low | 0 | 0 | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
gsk2656157 | [no description available] | low | 0 | 0 | biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor |
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide | [no description available] | low | 0 | 0 | aromatic amide; bridged compound; olefinic compound; organochlorine compound; organofluorine compound; pyrazoles | |
vericiguat | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine | antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
pacific blue succinimidyl ester | [no description available] | low | 0 | 0 | hydroxycoumarin; N-hydroxysuccinimide ester; organofluorine compound | fluorochrome |
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene | |
oxathiapiprolin | [no description available] | low | 0 | 0 | 1,3-thiazoles; isoxazoline; N-acylpiperidine; organofluorine compound; pyrazoles; tertiary carboxamide | |
5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione | [no description available] | low | 0 | 0 | halophenol; organofluorine compound | |
LimKi 3 | [no description available] | low | 0 | 0 | 1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide | LIM kinase inhibitor |
ivosidenib | [no description available] | low | 0 | 0 | cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
praliciguat | [no description available] | low | 0 | 0 | aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol | anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
MMP-9-IN-1 | [no description available] | low | 0 | 0 | aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor |
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine | [no description available] | low | 0 | 0 | organofluorine compound | |
nirmatrelvir | [no description available] | low | 0 | 0 | azabicyclohexane; nitrile; organofluorine compound; pyrrolidin-2-ones; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
eprazinone | [no description available] | low | 0 | 0 | aromatic ketone; ether; N-alkylpiperazine | mucolytic |
fleroxacin | [no description available] | low | 0 | 0 | difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines | antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
gbr 12935 | [no description available] | low | 0 | 0 | ether; N-alkylpiperazine; tertiary amino compound | dopamine uptake inhibitor |
nan 190 | [no description available] | low | 0 | 0 | N-alkylpiperazine; N-arylpiperazine; phthalimides | serotonergic antagonist |
proglumetacin | [no description available] | low | 0 | 0 | aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
n-methylquipazine | [no description available] | low | 0 | 0 | aminoquinoline; N-alkylpiperazine; N-arylpiperazine | serotonergic agonist |
razoxane | [no description available] | low | 0 | 0 | N-alkylpiperazine | |
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine | [no description available] | low | 0 | 0 | N-alkylpiperazine; organic heterotricyclic compound | |
triforine | [no description available] | low | 0 | 0 | amide fungicide; formamides; N-alkylpiperazine; organochlorine compound | allergen; antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
pefloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone | antibacterial drug; antiinfective agent; DNA synthesis inhibitor |
dotarizine | [no description available] | low | 0 | 0 | cyclic ketal; dioxolane; N-alkylpiperazine | calcium channel blocker; serotonergic antagonist; vasodilator agent |
difloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic; monocarboxylic acid; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone | antibacterial drug; Mycoplasma genitalium metabolite |
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 |
1-benzylpiperazine | [no description available] | low | 0 | 0 | N-alkylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
tandospirone | [no description available] | low | 0 | 0 | bridged compound; dicarboximide; N-alkylpiperazine; N-arylpiperazine; pyrimidines | antidepressant; anxiolytic drug |
gr 127935 | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine | |
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline | geroprotector; serotonergic agonist |
brl 15572 | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist |
vilazodone | [no description available] | low | 0 | 0 | 1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile | antidepressant; serotonergic agonist; serotonin uptake inhibitor |
scio-469 | [no description available] | low | 0 | 0 | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
masitinib | [no description available] | low | 0 | 0 | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor |
sotrastaurin | [no description available] | low | 0 | 0 | indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines | anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent |
erastin | [no description available] | low | 0 | 0 | aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide | antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor |
at 13387 | [no description available] | low | 0 | 0 | benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide | antineoplastic agent; Hsp90 inhibitor |
2-[4-(1,4-dithiepan-6-yl)-1-propan-2-yl-2-piperazinyl]ethanol | [no description available] | low | 0 | 0 | N-alkylpiperazine | |
tg101209 | [no description available] | low | 0 | 0 | N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
lrrk2-in1 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
ML-210 | [no description available] | low | 0 | 0 | C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide | antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug |
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 |
abt-199 | [no description available] | low | 0 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | [no description available] | low | 0 | 0 | aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas | antineoplastic agent; fibroblast growth factor receptor antagonist |
gsk343 | [no description available] | low | 0 | 0 | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
DDR1-IN-1 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
hg-9-91-01 | [no description available] | low | 0 | 0 | aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound | antineoplastic agent; salt-inducible kinase 2 inhibitor |
mirodenafil | [no description available] | low | 0 | 0 | aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
hoe 33342 | [no description available] | low | 0 | 0 | bibenzimidazole; N-methylpiperazine | fluorochrome |
bisbenzimidazole | [no description available] | low | 0 | 0 | bibenzimidazole; N-methylpiperazine | anthelminthic drug; fluorochrome |
1-methylpiperazine | [no description available] | low | 0 | 0 | N-methylpiperazine | |
1,1-dimethyl-4-acetylpiperazinium | [no description available] | low | 0 | 0 | N-methylpiperazine | |
bosutinib | [no description available] | low | 0 | 0 | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
amocarzine | [no description available] | low | 0 | 0 | C-nitro compound; N-methylpiperazine; secondary amino compound; thioureas | antinematodal drug |
azd2858 | [no description available] | low | 0 | 0 | aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide | antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
ponatinib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor |
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 |
entrectinib | [no description available] | low | 0 | 0 | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
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 |