Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
1-(2-methoxyphenyl)piperazine | [no description available] | medium | 9 | 0 | piperazines | |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 11 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
sotalol | [no description available] | medium | 2 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
1-(4-nitrophenyl)piperazine | [no description available] | medium | 1 | 0 | | |
1-(4-chlorophenyl)piperazine | [no description available] | medium | 4 | 0 | | |
1-(4-methoxyphenyl)piperazine | [no description available] | medium | 4 | 0 | | |
1-(1-naphthyl)piperazine | [no description available] | medium | 7 | 0 | N-arylpiperazine | |
haloperidol | [no description available] | medium | 4 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
1-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 10 | 0 | (trifluoromethyl)benzenes; N-arylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
4-phenylpiperidine | [no description available] | medium | 5 | 0 | | |
1-benzylpiperazine | [no description available] | medium | 4 | 0 | N-alkylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
kampirone | [no description available] | medium | 4 | 0 | N-arylpiperazine | |
4-phenyl-1-(4-phenylbutyl)piperidine | [no description available] | medium | 1 | 0 | piperidines | |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 7 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
chlorpromazine | [no description available] | medium | 2 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
desipramine | [no description available] | medium | 2 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
diazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
lysergic acid diethylamide | [no description available] | medium | 2 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
6-chloro-2-(1-piperazinyl)pyrazine | [no description available] | medium | 2 | 0 | N-arylpiperazine | |
atropine | [no description available] | medium | 2 | 0 | | |
cocaine | [no description available] | medium | 4 | 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 |
clozapine | [no description available] | medium | 3 | 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 |
buspirone | [no description available] | medium | 5 | 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 |
nan 190 | [no description available] | medium | 3 | 0 | N-alkylpiperazine; N-arylpiperazine; phthalimides | serotonergic antagonist |
gepirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
tryptamine | [no description available] | medium | 2 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
5-carboxamidotryptamine | [no description available] | medium | 2 | 0 | tryptamines | |
methylbufotenin | [no description available] | medium | 2 | 0 | aromatic ether; tertiary amino compound; tryptamine alkaloid | hallucinogen; plant metabolite |
5-methoxytryptamine | [no description available] | medium | 2 | 0 | aromatic ether; primary amino compound; tryptamines | 5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist |
alpha-methylserotonin | [no description available] | medium | 2 | 0 | tryptamines | serotonergic agonist |
amphetamine | [no description available] | medium | 2 | 0 | primary amine | |
ketanserin | [no description available] | medium | 5 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
mianserin | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
pindolol | [no description available] | medium | 3 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
quipazine | [no description available] | medium | 5 | 0 | piperazines; pyridines | |
spiperone | [no description available] | medium | 3 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
3,4-dimethoxyamphetamine | [no description available] | medium | 1 | 0 | | |
bufotenin | [no description available] | medium | 2 | 0 | tertiary amine; tryptamine alkaloid | coral metabolite; hallucinogen |
2,5-dimethoxy-4-ethylamphetamine | [no description available] | medium | 1 | 0 | amphetamines | |
metergoline | [no description available] | medium | 3 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
2,4,5-trimethoxyphenylisopropylamine | [no description available] | medium | 1 | 0 | | |
4-methoxyamphetamine | [no description available] | medium | 1 | 0 | | |
ipsapirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
2,5-dimethoxy-4-bromoamphetamine | [no description available] | medium | 1 | 0 | | |
2,5-dimethoxyamphetamine | [no description available] | medium | 1 | 0 | | |
mesulergine | [no description available] | medium | 1 | 0 | ergot alkaloid; sulfamides | antiparkinson drug; dopamine agonist; serotonergic antagonist |
2,5-dimethoxy-4-methylamphetamine | [no description available] | medium | 2 | 0 | | |
1-(2,5-dimethoxy-4-nitrophenyl)-2-aminopropane | [no description available] | medium | 1 | 0 | | |
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indole | [no description available] | medium | 2 | 0 | indoles | |
n-methylserotonin | [no description available] | medium | 2 | 0 | phenols; tryptamines | human metabolite; plant metabolite |
3-methoxyamphetamine | [no description available] | medium | 1 | 0 | | |
n-desmethylmethoxyphenamine | [no description available] | medium | 1 | 0 | | |
6-hydroxytryptamine | [no description available] | medium | 2 | 0 | | |
cinanserin | [no description available] | medium | 2 | 0 | aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound | anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
4-iodo-2,5-dimethoxyphenylisopropylamine, (r)-isomer | [no description available] | medium | 1 | 0 | | |
2,5-dimethoxy-4-methylamphetamine, (r)-isomer | [no description available] | medium | 1 | 0 | | |
2,5-dimethoxy-4-bromoamphetamine, (r)-isomer | [no description available] | medium | 1 | 0 | | |
2,5-dimethoxy-4-bromoamphetamine, (s)-isomer | [no description available] | medium | 1 | 0 | | |
1,2-Dihydroquinolin-2-imine | [no description available] | medium | 1 | 0 | aminoquinoline | |
2-aminotetralin | [no description available] | medium | 1 | 0 | tetralins | |
eltoprazine | [no description available] | medium | 4 | 0 | | |
2-methyl-5-ht | [no description available] | medium | 1 | 0 | tryptamines | serotonergic agonist |
acebutolol | [no description available] | medium | 2 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
alprenolol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
atenolol | [no description available] | medium | 2 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
bmy 7378 | [no description available] | medium | 1 | 0 | piperazines | |
carvedilol | [no description available] | medium | 2 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
celiprolol | [no description available] | medium | 2 | 0 | aromatic ketone | |
cgp 20712a | [no description available] | medium | 1 | 0 | imidazoles | |
cgs 12066 | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; pyrroloquinoxaline | serotonergic agonist |
citalopram | [no description available] | medium | 2 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
metoprolol | [no description available] | medium | 2 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
oxprenolol | [no description available] | medium | 2 | 0 | aromatic ether | |
trazodone | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
timolol | [no description available] | medium | 2 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
5,7-dihydroxytryptamine | [no description available] | medium | 1 | 0 | | |
tertatolol | [no description available] | medium | 1 | 0 | thiochromane | |
penbutolol | [no description available] | medium | 1 | 0 | ethanolamines | |
n,n-dipropyl-2-aminotetralin | [no description available] | medium | 1 | 0 | | |
3-propylamino-5-hydroxychroman | [no description available] | medium | 1 | 0 | | |
s 14671 | [no description available] | medium | 1 | 0 | | |
dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
3-(1-methyl-1,2,3,6-tetrahydropyrid-4-yl)indole | [no description available] | medium | 1 | 0 | | |
8-methoxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 1 | 0 | | |
5-methoxy-3-(di-n-propylamino)chroman | [no description available] | medium | 1 | 0 | | |
1-(3-chlorophenyl)biguanide | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | |
phenyl biguanide | [no description available] | medium | 1 | 0 | guanidines | central nervous system drug |
n-methylquipazine | [no description available] | medium | 1 | 0 | aminoquinoline; N-alkylpiperazine; N-arylpiperazine | serotonergic agonist |
phenylguanidine | [no description available] | medium | 1 | 0 | | |
4-chlorophenylbiguanide | [no description available] | medium | 1 | 0 | | |
2-(4-chlorophenyl)guanidine | [no description available] | medium | 1 | 0 | organochlorine compound | |
m-chlorophenylguanidine | [no description available] | medium | 1 | 0 | | |
2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione | [no description available] | medium | 1 | 0 | piperazines | |
fluanisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
flesinoxan | [no description available] | medium | 1 | 0 | | |
ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
2,2'-(hydroxynitrosohydrazono)bis-ethanamine | [no description available] | medium | 1 | 0 | | |
4,4-dicarboxy-5-pyridoxylproline | [no description available] | medium | 1 | 0 | | |
gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
beta-alanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
formic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
gallic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
bupropion | [no description available] | medium | 1 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
glycine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
histamine | [no description available] | medium | 1 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
dihydroxyphenylalanine | [no description available] | medium | 1 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
niacin | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
propionic acid | [no description available] | medium | 1 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
pyridoxamine | [no description available] | medium | 1 | 0 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
trimethylamine | [no description available] | medium | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
tryptophan | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid | Daphnia magna metabolite |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
tacrine | [no description available] | medium | 1 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amiodarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amlodipine | [no description available] | medium | 1 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amoxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
arecoline | [no description available] | medium | 1 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
aspirin | [no description available] | medium | 1 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
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 | 1 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bisoprolol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bumetanide | [no description available] | medium | 1 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
verapamil | [no description available] | medium | 1 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
carbidopa | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
chlorpheniramine | [no description available] | medium | 1 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
cinoxacin | [no description available] | medium | 1 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofloxacin | [no description available] | medium | 2 | 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 |
clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
cyclobenzaprine | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
diclofenac | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
diphenhydramine | [no description available] | medium | 1 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
disopyramide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
domperidone | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
donepezil | [no description available] | medium | 1 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
droperidol | [no description available] | medium | 1 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
dyclonine | [no description available] | medium | 1 | 0 | aromatic ketone; piperidines | topical anaesthetic |
ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
fendiline | [no description available] | medium | 1 | 0 | diarylmethane | |
fentanyl | [no description available] | medium | 1 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
flecainide | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
fleroxacin | [no description available] | medium | 1 | 0 | difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines | antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic | |
flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fluspirilene | [no description available] | medium | 1 | 0 | diarylmethane | |
furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
ibuprofen | [no description available] | medium | 1 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
lidocaine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
mephentermine | [no description available] | medium | 1 | 0 | amphetamines | |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
indomethacin | [no description available] | medium | 1 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
isoproterenol | [no description available] | medium | 1 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
ketoprofen | [no description available] | medium | 1 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
ketorolac | [no description available] | medium | 1 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
labetalol | [no description available] | medium | 1 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lomefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
loxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
maprotiline | [no description available] | medium | 1 | 0 | anthracenes | |
mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
meperidine | [no description available] | medium | 1 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mesoridazine | [no description available] | medium | 1 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
methoxyphenamine | [no description available] | medium | 1 | 0 | amphetamines | beta-adrenergic agonist; bronchodilator agent |
3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
mexiletine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mirtazapine | [no description available] | medium | 1 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nefazodone | [no description available] | medium | 1 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
nortriptyline | [no description available] | medium | 1 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
oxotremorine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine | |
aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; phenols | antitubercular agent |
periciazine | [no description available] | medium | 1 | 0 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
primaquine | [no description available] | medium | 1 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
probenecid | [no description available] | medium | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
promazine | [no description available] | medium | 1 | 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] | medium | 1 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propafenone | [no description available] | medium | 1 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
propranolol | [no description available] | medium | 1 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
ranitidine | [no description available] | medium | 1 | 0 | aralkylamine | |
risperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
sumatriptan | [no description available] | medium | 1 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
suprofen | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
gatifloxacin | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
terbutaline | [no description available] | medium | 1 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
tetracaine | [no description available] | medium | 1 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
tolmetin | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
trimeprazine | [no description available] | medium | 1 | 0 | phenothiazines | |
trimipramine | [no description available] | medium | 1 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
venlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
dextroamphetamine | [no description available] | medium | 1 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
penicillin g | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
physostigmine | [no description available] | medium | 1 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
tyrosine | [no description available] | medium | 1 | 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 |
leucine | [no description available] | medium | 1 | 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 |
phenylalanine | [no description available] | medium | 1 | 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 |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
tryptophan | [no description available] | medium | 1 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
ethylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | human metabolite |
tromethamine | [no description available] | medium | 1 | 0 | primary amino compound; triol | buffer |
brompheniramine | [no description available] | medium | 1 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
penicillin v | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
2-naphthoic acid | [no description available] | medium | 1 | 0 | naphthoic acid | mouse metabolite; xenobiotic metabolite |
mecoprop | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | |
synephrine | [no description available] | medium | 1 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
deanol | [no description available] | medium | 1 | 0 | ethanolamines; tertiary amine | curing agent; radical scavenger |
4-methylmorpholine | [no description available] | medium | 1 | 0 | | |
n-butylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
piperidine | [no description available] | medium | 1 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
morpholine | [no description available] | medium | 2 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
hexahydroazepine | [no description available] | medium | 1 | 0 | azacycloalkane; azepanes; saturated organic heteromonocyclic parent | |
ergotamine | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
n-methylpyrrolidine | [no description available] | medium | 1 | 0 | | |
triethylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
meglumine | [no description available] | medium | 1 | 0 | hexosamine; secondary amino compound | |
chloroprocaine | [no description available] | medium | 1 | 0 | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug |
aziridine | [no description available] | medium | 1 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
ephedrine | [no description available] | medium | 1 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
dibenzepin | [no description available] | medium | 1 | 0 | dibenzodiazepine | |
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 |
trifluoroethylamine | [no description available] | medium | 1 | 0 | | |
2-fluoroethylamine | [no description available] | medium | 1 | 0 | | |
dextropropoxyphene | [no description available] | medium | 1 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
arecaidine | [no description available] | medium | 1 | 0 | citraconoyl group | |
azetidine | [no description available] | medium | 1 | 0 | azacycloalkane; azetidines; saturated organic heteromonocyclic parent | |
gluconic acid | [no description available] | medium | 1 | 0 | gluconic acid | chelator; Penicillium metabolite |
methamphetamine | [no description available] | medium | 1 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
aminopenicillanic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; penicillanic acids | allergen |
glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | tripeptide zwitterion; tripeptide | |
n,n-dimethylethylamine | [no description available] | medium | 1 | 0 | | |
diethylmethylamine | [no description available] | medium | 1 | 0 | | |
glycine ethyl ester | [no description available] | medium | 1 | 0 | | |
n-methylpiperidine | [no description available] | medium | 1 | 0 | | |
benzydamine | [no description available] | medium | 1 | 0 | aromatic ether; indazoles; tertiary amino compound | analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug |
erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin | |
tempidon | [no description available] | medium | 1 | 0 | piperidones | |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
clopyralid | [no description available] | medium | 1 | 0 | organochlorine pesticide; pyridines | herbicide |
dimethylaminopropionitrile | [no description available] | medium | 1 | 0 | | |
pimozide | [no description available] | medium | 2 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
5-phenylvaleric acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
selegiline | [no description available] | medium | 1 | 0 | selegiline; terminal acetylenic compound | geroprotector |
cephalexin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
pyrrolidine | [no description available] | medium | 1 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
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 |
propamocarb | [no description available] | medium | 1 | 0 | carbamate ester; carbamate fungicide; tertiary amino compound | antifungal agrochemical; environmental contaminant; xenobiotic |
amoxicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
phenyl-2-aminoethyl sulfide | [no description available] | medium | 1 | 0 | | |
tolamolol | [no description available] | medium | 1 | 0 | | |
methyldopa | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
sq-11725 | [no description available] | medium | 1 | 0 | | |
diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
sufentanil | [no description available] | medium | 1 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
Flamprop | [no description available] | medium | 1 | 0 | benzamides | |
paroxetine | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
remoxipride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
atomoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
atorvastatin | [no description available] | medium | 1 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
irinotecan | [no description available] | medium | 1 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
d-lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
trovafloxacin | [no description available] | medium | 1 | 0 | | |
thiamorpholine | [no description available] | medium | 1 | 0 | saturated organic heteromonocyclic parent; thiomorpholines | |
glycyl-glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
carazolol | [no description available] | medium | 1 | 0 | carbazoles | |
methotrimeprazine | [no description available] | medium | 1 | 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 |
oleandomycin | [no description available] | medium | 1 | 0 | oleandomycins | |
phenylalanyl-phenylalanyl-phenylalanine | [no description available] | medium | 1 | 0 | oligopeptide | |
3-(4-methoxybenzoyl)propionic acid | [no description available] | medium | 1 | 0 | | |
dimethylaminopropanol | [no description available] | medium | 1 | 0 | | |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
4-phenylbutylamine | [no description available] | medium | 1 | 0 | benzenes; phenylalkylamine; primary amino compound | |
clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
glycinexylidide | [no description available] | medium | 1 | 0 | amino acid amide | drug metabolite |
Trp-Trp | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
nicotine | [no description available] | medium | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
isopelletierine | [no description available] | medium | 1 | 0 | citraconoyl group | |
fenpropimorph | [no description available] | medium | 1 | 0 | alkylbenzene | |
1-(2-pyridinyl)piperazine | [no description available] | medium | 1 | 0 | | |
l-lactic acid | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
deramciclane | [no description available] | medium | 1 | 0 | | |
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 |
levofloxacin | [no description available] | medium | 1 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
moxifloxacin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
quinidine | [no description available] | medium | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
norpseudoephedrine | [no description available] | medium | 1 | 0 | amphetamines; phenethylamine alkaloid | central nervous system stimulant; plant metabolite; psychotropic drug |
tolterodine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
e-z cinnamic acid | [no description available] | medium | 1 | 0 | cinnamic acid | plant metabolite |
cefamandole | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
sorbic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
doxepin hydrochloride | [no description available] | medium | 1 | 0 | | |
terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
tamoxifen | [no description available] | medium | 1 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
4-methylumbelliferyl glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; coumarins; monosaccharide derivative | chromogenic compound |
quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
tylosin | [no description available] | medium | 1 | 0 | aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative | allergen; bacterial metabolite; environmental contaminant; xenobiotic |
alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
triprolidine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
dihydrocodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
oxycodone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
morphine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
codeine phosphate | [no description available] | medium | 1 | 0 | | |
dihydromorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
morphine-6-glucuronide | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
butorphanol | [no description available] | medium | 1 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
enalapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
heroin | [no description available] | medium | 1 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
enalaprilat anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
normorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
morphine-3-glucuronide | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
1,2-dielaidoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
rosaramicin | [no description available] | medium | 1 | 0 | aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative | bacterial metabolite |
roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant; xenobiotic |
cefdinir | [no description available] | medium | 1 | 0 | cephalosporin; ketoxime | antibacterial drug |
phenylalanylphenylalanine | [no description available] | medium | 1 | 0 | dipeptide; L-aminoacyl-L-amino acid zwitterion | human blood serum metabolite; Mycoplasma genitalium metabolite |
norcodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | [no description available] | medium | 1 | 0 | | |
decanoylcarnitine | [no description available] | medium | 1 | 0 | decanoate ester; O-acylcarnitine | human urinary metabolite |
tetracycline | [no description available] | medium | 1 | 0 | | |
chlortetracycline | [no description available] | medium | 1 | 0 | | |
olanzapine | [no description available] | medium | 1 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
plastoquinone | [no description available] | medium | 1 | 0 | plastoquinone | |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
oxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
troparil | [no description available] | medium | 1 | 0 | | |
nitrophenols | [no description available] | medium | 1 | 0 | | |
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 |
indazoles | [no description available] | medium | 1 | 0 | indazole | |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
technetium | [no description available] | medium | 1 | 0 | manganese group element atom | |
technetium 99m | [no description available] | medium | 1 | 0 | technetium atom | |
piperidines | [no description available] | medium | 6 | 0 | | |
1,2,3,4-tetrahydroisoquinoline | [no description available] | medium | 2 | 0 | isoquinolines | |
1,2,3,4-tetrahydroquinoline | [no description available] | medium | 1 | 0 | quinolines | |
quinoline | [no description available] | medium | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
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 |
thiourea | [no description available] | medium | 1 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
lassbio-579 | [no description available] | medium | 4 | 0 | | |
2,2'-dipyridyl | [no description available] | medium | 2 | 0 | bipyridine | chelator; ferroptosis inhibitor |
tris(2,2'-bipyridine)ruthenium iii | [no description available] | medium | 1 | 0 | | |
carbamates | [no description available] | medium | 2 | 0 | amino-acid anion | |
phenylcarbamic acid | [no description available] | medium | 1 | 0 | amino acid | |
quinazolines | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
naphthalimides | [no description available] | medium | 1 | 0 | | |
cathinone | [no description available] | medium | 1 | 0 | 2-aminopropiophenone; monoamine alkaloid | central nervous system stimulant; psychotropic drug |
hydantoins | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | |
acetylcellulose | [no description available] | medium | 1 | 0 | | |
ruthenium | [no description available] | medium | 1 | 0 | iron group element atom; platinum group metal atom | |
cellulose | [no description available] | medium | 2 | 0 | glycoside | |
silver | [no description available] | medium | 1 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
benzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
pentylenetetrazole | [no description available] | medium | 3 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
1,4-benzodioxan | [no description available] | medium | 1 | 0 | | |
mannich bases | [no description available] | medium | 1 | 0 | | |
fluorine | [no description available] | medium | 2 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
vestipitant | [no description available] | medium | 1 | 0 | | |
fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
pridopidine | [no description available] | medium | 1 | 0 | | |
trimethylchlorosilane | [no description available] | medium | 1 | 0 | silyl chloride | chromatographic reagent |
phenytoin | [no description available] | medium | 4 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
methyl iodide | [no description available] | medium | 1 | 0 | iodomethanes; methyl halides | fumigant insecticide |
sch 23390 | [no description available] | medium | 1 | 0 | benzazepine | |
nickel | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
cyanides | [no description available] | medium | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
ethosuximide | [no description available] | medium | 1 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
ethylene glycol | [no description available] | medium | 1 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
palladium | [no description available] | medium | 2 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
mercury | [no description available] | medium | 1 | 0 | elemental mercury; zinc group element atom | neurotoxin |
imidazolidines | [no description available] | medium | 1 | 0 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
warfarin | [no description available] | medium | 2 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
lead | [no description available] | medium | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
lassbio-581 | [no description available] | medium | 2 | 0 | | |
flavone | [no description available] | medium | 1 | 0 | flavones | metabolite; nematicide |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
benzothiophene | [no description available] | medium | 1 | 0 | 1-benzothiophenes; benzothiophene | |
dipropizine | [no description available] | medium | 1 | 1 | piperazines | |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 1 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
nitrous oxide | [no description available] | medium | 1 | 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 |
sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome; intercalator |
isatoic anhydride | [no description available] | medium | 1 | 0 | | |
triphenylphosphine | [no description available] | medium | 1 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
pyrroles | [no description available] | medium | 1 | 0 | pyrrole; secondary amine | |
phthalimide | [no description available] | medium | 1 | 0 | phthalimides | |
oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester; oxazolidinone | metabolite |
hydroxyindoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
corticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
pyrimidinones | [no description available] | medium | 3 | 0 | | |
4-iodo-2,5-dimethoxyphenylisopropylamine | [no description available] | medium | 1 | 0 | amphetamines; dimethoxybenzene; organoiodine compound | |
pyridine | [no description available] | medium | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
tamsulosin | [no description available] | medium | 1 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
fluprazine | [no description available] | medium | 1 | 0 | | |
chlordiazepoxide | [no description available] | medium | 1 | 0 | benzodiazepine | |
5-hydroxytryptophan | [no description available] | medium | 1 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
cyproheptadine | [no description available] | medium | 1 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
methysergide | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
pyrazines | [no description available] | medium | 1 | 0 | diazine; pyrazines | Daphnia magna metabolite |
clofibrate | [no description available] | medium | 1 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |