| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| kainic acid | [no description available] | medium | 4 | 0 | dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid | antinematodal drug;
excitatory amino acid agonist |
| bromodeoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent |
| bicuculline methiodide | [no description available] | medium | 5 | 0 | | |
| bicuculline | [no description available] | medium | 10 | 0 | benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines | agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin |
| pilocarpine | [no description available] | medium | 17 | 0 | pilocarpine | antiglaucoma drug |
| atenolol | [no description available] | medium | 25 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| phenylephrine | [no description available] | medium | 17 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
| linalool | [no description available] | medium | 1 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
| ondansetron | [no description available] | medium | 2 | 0 | carbazoles | |
| capsaicin | [no description available] | medium | 4 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| capsazepine | [no description available] | medium | 2 | 0 | benzazepine;
catechols;
monochlorobenzenes;
thioureas | capsaicin receptor antagonist |
| hc 030031 | [no description available] | medium | 1 | 0 | | |
| pyridostigmine bromide | [no description available] | medium | 3 | 0 | pyridinium salt | |
| propranolol | [no description available] | medium | 55 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| prazosin | [no description available] | medium | 12 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| nicotine | [no description available] | medium | 10 | 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 |
| asoxime chloride | [no description available] | medium | 2 | 0 | | |
| soman | [no description available] | medium | 8 | 0 | phosphonic ester | |
| alpha-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid;
omega-3 fatty acid | micronutrient;
mouse metabolite;
nutraceutical |
| diazepam | [no description available] | medium | 5 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| sirolimus | [no description available] | medium | 2 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| atropine | [no description available] | medium | 111 | 1 | | |
| neostigmine | [no description available] | medium | 21 | 1 | quaternary ammonium ion | antidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| hexamethonium | [no description available] | medium | 27 | 0 | quaternary ammonium salt | |
| ng-nitroarginine methyl ester | [no description available] | medium | 8 | 0 | alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| huperzine a | [no description available] | medium | 1 | 0 | quinolone | |
| 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 |
| sesquiterpenes | [no description available] | medium | 2 | 0 | | |
| paraoxon | [no description available] | medium | 2 | 0 | aryl dialkyl phosphate;
organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite |
| kynurenic acid | [no description available] | medium | 3 | 0 | monohydroxyquinoline;
quinolinemonocarboxylic acid | G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite |
| gamma-aminobutyric acid | [no description available] | medium | 8 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| 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 |
| dapi | [no description available] | medium | 1 | 0 | indoles | fluorochrome |
| sarin | [no description available] | medium | 2 | 0 | fluorine molecular entity;
phosphinic ester | |
| lysine | [no description available] | medium | 2 | 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 |
| biocytin | [no description available] | medium | 2 | 0 | azabicycloalkane;
L-alpha-amino acid zwitterion;
L-lysine derivative;
monocarboxylic acid amide;
non-proteinogenic L-alpha-amino acid;
thiabicycloalkane;
ureas | mouse metabolite |
| cgp 55845a | [no description available] | medium | 1 | 0 | | |
| sotalol | [no description available] | medium | 1 | 0 | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic |
| quinolinic acid | [no description available] | medium | 2 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist |
| 1-nitro-2-phenylethane | [no description available] | medium | 1 | 0 | | |
| corticosterone | [no description available] | medium | 2 | 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 |
| glycogen | [no description available] | medium | 2 | 0 | | |
| monocrotophos | [no description available] | medium | 1 | 0 | alkenyl phosphate;
dialkyl phosphate;
monocarboxylic acid amide;
organophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| oxotremorine m | [no description available] | medium | 2 | 0 | quaternary ammonium ion | muscarinic agonist |
| oxotremorine | [no description available] | medium | 23 | 0 | N-alkylpyrrolidine | |
| 2',3'-o-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | C-nitro compound;
spiroketal | antagonist |
| angiotensin ii | [no description available] | medium | 4 | 0 | amino acid zwitterion;
angiotensin II | human metabolite |
| metoprolol | [no description available] | medium | 5 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic |
| pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid | [no description available] | medium | 2 | 0 | arenesulfonic acid;
azobenzenes;
methylpyridines;
monohydroxypyridine;
organic phosphate;
pyridinecarbaldehyde | purinergic receptor P2X antagonist |
| 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 |
| glutamic acid | [no description available] | medium | 5 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| phenyl biguanide | [no description available] | medium | 2 | 0 | guanidines | central nervous system drug |
| biguanides | [no description available] | medium | 2 | 0 | guanidines | |
| phentolamine | [no description available] | medium | 18 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| deet | [no description available] | medium | 1 | 0 | benzamides;
monocarboxylic acid amide | environmental contaminant;
insect repellent;
xenobiotic |
| apomorphine | [no description available] | medium | 3 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| piperidines | [no description available] | medium | 8 | 0 | | |
| sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
| 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol | [no description available] | medium | 2 | 0 | alkylbenzene;
ring assembly | |
| cyclohexanol | [no description available] | medium | 2 | 0 | cyclohexanols;
secondary alcohol | solvent |
| antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| iodoantipyrine | [no description available] | medium | 1 | 0 | | |
| thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| fp-tztp | [no description available] | medium | 1 | 0 | | |
| deoxyglucose | [no description available] | medium | 5 | 0 | | |
| clonidine | [no description available] | medium | 4 | 0 | clonidine;
imidazoline | |
| glucagon | [no description available] | medium | 9 | 0 | peptide hormone | |
| histamine | [no description available] | medium | 7 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| methantheline | [no description available] | medium | 1 | 0 | xanthenes | |
| methyl nitrate | [no description available] | medium | 4 | 0 | | |
| nitrates | [no description available] | medium | 4 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
| homatropine methylbromide | [no description available] | medium | 1 | 0 | | |
| dronabinol | [no description available] | medium | 2 | 0 | benzochromene;
diterpenoid;
phytocannabinoid;
polyketide | cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic |
| physostigmine | [no description available] | medium | 23 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| scopolamine hydrobromide | [no description available] | medium | 15 | 0 | | |
| isoproterenol | [no description available] | medium | 12 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| serine | [no description available] | medium | 1 | 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 |
| theophylline | [no description available] | medium | 2 | 1 | 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 |
| papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent |
| methacholine chloride | [no description available] | medium | 3 | 0 | quaternary ammonium salt | |
| 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 |
| anhydroecgonine methyl ester | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine | |
| ecgonidine | [no description available] | medium | 1 | 0 | | |
| metoprine | [no description available] | medium | 1 | 0 | | |
| pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| verapamil | [no description available] | medium | 2 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| methyleugenol | [no description available] | medium | 1 | 0 | phenylpropanoid | |
| 1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 1 | 0 | oxopurine | adenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| 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 |
| pirenzepine | [no description available] | medium | 14 | 0 | pyridobenzodiazepine | anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist |
| methoctramine | [no description available] | medium | 3 | 0 | hydrochloride | muscarinic antagonist |
| fentanyl | [no description available] | medium | 3 | 0 | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic |
| alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
| glycopyrrolate | [no description available] | medium | 3 | 0 | organic bromide salt;
quaternary ammonium salt | |
| n-methylscopolamine | [no description available] | medium | 7 | 0 | | |
| mdl 100907 | [no description available] | medium | 1 | 0 | | |
| 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 |
| fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
| 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 |
| substance p | [no description available] | medium | 1 | 0 | peptide | neurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent |
| bethanechol | [no description available] | medium | 4 | 0 | carbamate ester;
quaternary ammonium ion | muscarinic agonist |
| acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| vx | [no description available] | medium | 1 | 0 | organic thiophosphate;
tertiary amino compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin |
| mecamylamine | [no description available] | medium | 5 | 0 | primary aliphatic amine | |
| yohimbine | [no description available] | medium | 4 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
| naloxone | [no description available] | medium | 5 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| 6-chloro-2-(1-piperazinyl)pyrazine | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| bw 723c86 | [no description available] | medium | 1 | 0 | | |
| thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| pyrazines | [no description available] | medium | 1 | 0 | diazine;
pyrazines | Daphnia magna metabolite |
| ifosfamide | [no description available] | medium | 1 | 0 | | |
| anisodamine | [no description available] | medium | 1 | 0 | | |
| brucine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid;
organic heteroheptacyclic compound | |
| strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid;
organic heteroheptacyclic compound | avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide |
| aconitine | [no description available] | medium | 1 | 0 | | |
| rosiglitazone | [no description available] | medium | 1 | 0 | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug |
| cytidine monophosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| cytidine | [no description available] | medium | 1 | 0 | cytidines | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| phosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines | allergen;
epitope;
hapten;
human metabolite;
mouse 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 |
| choline | [no description available] | medium | 8 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| cobalt | [no description available] | medium | 2 | 0 | cobalt group element atom;
metal allergen | micronutrient |
| cobaltous chloride | [no description available] | medium | 1 | 0 | cobalt salt;
inorganic chloride | allergen;
calcium channel blocker;
sensitiser;
two-colour indicator |
| glyburide | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent |
| efaroxan | [no description available] | medium | 1 | 0 | 1-benzofurans | |
| benzofurans | [no description available] | medium | 1 | 0 | | |
| rs 79948-197 | [no description available] | medium | 1 | 0 | | |
| phenoxybenzamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| oxidopamine | [no description available] | medium | 4 | 0 | benzenetriol;
catecholamine;
primary amino compound | drug metabolite;
human metabolite;
neurotoxin |
| 2-n,n-di-n-propylamino-4,7-dimethoxyindan | [no description available] | medium | 1 | 0 | | |
| 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 |
| terbutaline | [no description available] | medium | 2 | 1 | phenylethanolamines;
resorcinols | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent |
| albuterol | [no description available] | medium | 9 | 3 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| sincalide | [no description available] | medium | 1 | 0 | oligopeptide | |
| carbachol | [no description available] | medium | 25 | 0 | ammonium salt;
carbamate ester | cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic |
| cholecystokinin | [no description available] | medium | 2 | 0 | | |
| cholecystokinin 39 | [no description available] | medium | 1 | 0 | | |
| enkephalin, leucine | [no description available] | medium | 2 | 0 | pentapeptide;
peptide zwitterion | analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite |
| bretylium tosylate | [no description available] | medium | 4 | 0 | organosulfonate salt;
quaternary ammonium salt | adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent |
| enkephalin, ala(2)-mephe(4)-gly(5)- | [no description available] | medium | 1 | 0 | | |
| bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | human blood serum metabolite;
vasodilator agent |
| morphine | [no description available] | medium | 7 | 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 |
| guanethidine | [no description available] | medium | 3 | 0 | azocanes;
guanidines | adrenergic antagonist;
antihypertensive agent;
sympatholytic agent |
| tetraethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
| chlorisondamine | [no description available] | medium | 7 | 0 | isoindoles | |
| ethybenztropine | [no description available] | medium | 1 | 0 | | |
| naltrexone | [no description available] | medium | 1 | 0 | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic |
| arecoline | [no description available] | medium | 4 | 0 | enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine | metabolite;
muscarinic agonist |
| dermorphin | [no description available] | medium | 1 | 0 | oligopeptide | |
| isoflurophate | [no description available] | medium | 4 | 0 | dialkyl phosphate | |
| levodopa | [no description available] | medium | 1 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
| metaproterenol | [no description available] | medium | 2 | 2 | aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound | |
| reproterol | [no description available] | medium | 1 | 1 | oxopurine | |
| phencyclidine | [no description available] | medium | 2 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| 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 |
| benztropine | [no description available] | medium | 2 | 0 | diarylmethane | |
| cromolyn sodium | [no description available] | medium | 1 | 0 | organic sodium salt | anti-asthmatic drug;
drug allergen |
| sulfur dioxide | [no description available] | medium | 1 | 0 | sulfur oxide | Escherichia coli metabolite;
food bleaching agent;
refrigerant |
| veratrine | [no description available] | medium | 1 | 0 | alkaloid | |
| barium sulfate | [no description available] | medium | 1 | 0 | barium salt;
inorganic barium salt;
metal sulfate | radioopaque medium |
| xylazine | [no description available] | medium | 2 | 0 | 1,3-thiazine;
methylbenzene;
secondary amino compound | alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative |
| domperidone | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| muscimol | [no description available] | medium | 3 | 0 | alkaloid;
isoxazoles;
primary amino compound | fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug |
| berotek | [no description available] | medium | 1 | 1 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
| mannoheptulose | [no description available] | medium | 1 | 0 | D-manno-heptulose | |
| captopril | [no description available] | medium | 3 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| pentobarbital | [no description available] | medium | 6 | 0 | barbiturates | GABAA receptor agonist |
| urethane | [no description available] | medium | 3 | 0 | carbamate ester | fungal metabolite;
mutagen |
| cysteamine | [no description available] | medium | 1 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| sucrose | [no description available] | medium | 3 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| ouabain | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
| p-methoxy-n-methylphenethylamine | [no description available] | medium | 1 | 0 | aromatic ether;
secondary amino compound | metabolite |
| reserpine | [no description available] | medium | 3 | 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 |
| tripelennamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| amphetamine | [no description available] | medium | 2 | 0 | primary amine | |
| prednisone | [no description available] | medium | 1 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug |
| gallamine triethiodide | [no description available] | medium | 3 | 0 | | |
| 4-diphenylacetoxy-1,1-dimethylpiperidinium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | cholinergic antagonist;
muscarinic antagonist |
| timolol | [no description available] | medium | 4 | 0 | timolol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| spiperone | [no description available] | medium | 2 | 0 | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist |
| fenfluramine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
secondary amino compound | appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor |
| picrotoxin | [no description available] | medium | 1 | 0 | | |
| rocuronium | [no description available] | medium | 2 | 1 | 3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound | drug allergen;
muscle relaxant;
neuromuscular agent |
| enflurane | [no description available] | medium | 1 | 0 | ether;
organochlorine compound;
organofluorine compound | anaesthetic |
| isoflurane | [no description available] | medium | 2 | 0 | organofluorine compound | inhalation anaesthetic |
| halothane | [no description available] | medium | 2 | 0 | haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound | inhalation anaesthetic |
| 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 |
| propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| 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 |
| sodium glutamate | [no description available] | medium | 1 | 0 | monosodium glutamate | flavouring agent |
| atrial natriuretic factor | [no description available] | medium | 2 | 0 | polypeptide | |
| cimetidine | [no description available] | medium | 3 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| gastrins | [no description available] | medium | 1 | 0 | | |
| arginine vasopressin | [no description available] | medium | 5 | 0 | vasopressin | cardiovascular drug;
hematologic agent;
mitogen |
| hydroxocobalamin | [no description available] | medium | 1 | 0 | | |
| cyanides | [no description available] | medium | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| pentolinium tartrate | [no description available] | medium | 3 | 0 | tartrate salt | antihypertensive agent |
| tetrodotoxin | [no description available] | medium | 4 | 0 | azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid | animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker |
| azasetron | [no description available] | medium | 1 | 0 | benzoxazine | |
| alloxan | [no description available] | medium | 1 | 0 | pyrimidone | hyperglycemic agent;
metabolite |
| sq-11725 | [no description available] | medium | 3 | 0 | | |
| (4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 2 | 0 | | |
| telenzepine | [no description available] | medium | 1 | 0 | benzodiazepine | |
| nitroglycerin | [no description available] | medium | 2 | 0 | nitroglycerol | explosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic |
| nitroarginine | [no description available] | medium | 2 | 0 | guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid | |
| muscarine | [no description available] | medium | 8 | 0 | monosaccharide | |
| vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(o- methyl-l-tyrosine)-8-l-arginine- | [no description available] | medium | 3 | 0 | | |
| rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester;
tertiary amino compound | cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent |
| tacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| 4-fluorohexahydrosiladifenidol | [no description available] | medium | 2 | 0 | | |
| carbamates | [no description available] | medium | 1 | 0 | amino-acid anion | |
| cardiovascular agents | [no description available] | medium | 3 | 0 | | |
| tetraisopropylpyrophosphamide | [no description available] | medium | 1 | 0 | phosphoramide | |
| n-methylaspartate | [no description available] | medium | 2 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
| quisqualic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
| ro 4-6790 | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide | |
| brimonidine tartrate | [no description available] | medium | 1 | 0 | | |
| copper sulfate | [no description available] | medium | 2 | 0 | metal sulfate | emetic;
fertilizer;
sensitiser |
| quinoxalines | [no description available] | medium | 1 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
| quipazine | [no description available] | medium | 1 | 0 | piperazines;
pyridines | |
| cinanserin | [no description available] | medium | 1 | 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 | [no description available] | medium | 1 | 0 | amphetamines;
dimethoxybenzene;
organoiodine compound | |
| bw 501c | [no description available] | medium | 1 | 0 | | |
| flumazenil | [no description available] | medium | 1 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | [no description available] | medium | 1 | 0 | beta-carbolines | |
| opc 21268 | [no description available] | medium | 1 | 0 | | |
| carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
| bufuralol | [no description available] | medium | 1 | 0 | benzofurans | |
| glucagon-like peptide 1 (7-36)amide | [no description available] | medium | 1 | 0 | | |
| glucagon-like peptide 1 | [no description available] | medium | 2 | 0 | | |
| oxyntomodulin | [no description available] | medium | 1 | 0 | | |
| sulpiride | [no description available] | medium | 1 | 0 | benzamides;
N-alkylpyrrolidine;
sulfonamide | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| nitric acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | protic solvent;
reagent |
| methoxamine | [no description available] | medium | 1 | 0 | amphetamines | alpha-adrenergic agonist;
antihypotensive agent |
| doxazosin | [no description available] | medium | 1 | 0 | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent |
| pituitrin | [no description available] | medium | 5 | 0 | | |
| 3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
| bupranolol | [no description available] | medium | 1 | 0 | aromatic ether | |
| cgp 12177 | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist |
| amibegron | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
| carbon tetrachloride | [no description available] | medium | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| dynorphins | [no description available] | medium | 1 | 0 | | |
| mr 2266 | [no description available] | medium | 1 | 0 | | |
| oxotremorine sesquifumarate | [no description available] | medium | 1 | 0 | | |
| 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 |
| pentagastrin | [no description available] | medium | 2 | 0 | organic molecular entity | |
| neuropeptide y | [no description available] | medium | 4 | 0 | | |
| cocaine methiodide | [no description available] | medium | 1 | 0 | | |
| ethylketocyclazocine | [no description available] | medium | 1 | 0 | | |
| digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| vasoactive intestinal peptide | [no description available] | medium | 5 | 0 | | |
| dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
| dichlorvos | [no description available] | medium | 1 | 0 | alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide | anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| benactyzine | [no description available] | medium | 3 | 0 | diarylmethane | |
| fenclonine | [no description available] | medium | 3 | 0 | phenylalanine derivative | |
| butoxamine | [no description available] | medium | 1 | 0 | | |
| 3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
| quinpirole | [no description available] | medium | 3 | 0 | pyrazoloquinoline | dopamine agonist |
| ergoline | [no description available] | medium | 3 | 0 | diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound | |
| sk&f-38393 | [no description available] | medium | 2 | 0 | benzazepine;
catechols;
secondary amino compound | |
| raclopride | [no description available] | medium | 1 | 0 | salicylamides | |
| acrylonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile;
volatile organic compound | antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent |
| hemicholinium 3 | [no description available] | medium | 4 | 0 | | |
| 5-methylfurtrethonium | [no description available] | medium | 3 | 0 | aralkylamine | |
| tubocurarine | [no description available] | medium | 3 | 0 | bisbenzylisoquinoline alkaloid | drug allergen;
muscle relaxant;
nicotinic antagonist |
| bicuculline methochloride | [no description available] | medium | 1 | 0 | | |
| omega-n-methylarginine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid | |
| arginine | [no description available] | medium | 1 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| 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 |
| naphthylvinylpyridine | [no description available] | medium | 1 | 0 | | |
| 1,1'-((1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-2,1-ethanediyl))bis(1,4-dimethylpiperidinium) | [no description available] | medium | 1 | 0 | | |
| heliodermin | [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 |
| flesinoxan | [no description available] | medium | 1 | 0 | | |
| 8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 1 | 0 | phenols;
tertiary amino compound;
tetralins | serotonergic antagonist |
| pindolol | [no description available] | medium | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| 5-carboxamidotryptamine | [no description available] | medium | 1 | 0 | tryptamines | |
| cobrotoxin | [no description available] | medium | 1 | 0 | | |
| procyclidine | [no description available] | medium | 1 | 0 | pyrrolidines;
tertiary alcohol | antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist |
| sodium thiocyanate | [no description available] | medium | 1 | 0 | organic sodium salt | |
| omeprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| 1-methyl-3-isobutylxanthine | [no description available] | medium | 1 | 0 | 3-isobutyl-1-methylxanthine | |
| tiotidine | [no description available] | medium | 2 | 0 | thiazoles | |
| nifedipine | [no description available] | medium | 2 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| azepexole | [no description available] | medium | 1 | 0 | | |
| bay-k-8644 | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester | |
| nicardipine | [no description available] | medium | 2 | 0 | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | |
| 1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
| dihydropyridines | [no description available] | medium | 2 | 0 | | |
| isradipine | [no description available] | medium | 1 | 0 | benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester | |
| oxadiazoles | [no description available] | medium | 1 | 0 | | |
| lypressin | [no description available] | medium | 1 | 0 | cyclic peptide | |
| talipexole | [no description available] | medium | 1 | 0 | azepine | |
| piribedil | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| 1-hydroxy-3-amino-2-pyrrolidone | [no description available] | medium | 1 | 0 | | |
| t-2 toxin | [no description available] | medium | 1 | 0 | | |
| nsc 141537 | [no description available] | medium | 1 | 0 | trichothecene | |
| obidoxime chloride | [no description available] | medium | 1 | 0 | | |
| aprofen | [no description available] | medium | 2 | 0 | | |
| deamino arginine vasopressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | diagnostic agent;
renal agent;
vasopressin receptor agonist |
| ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome;
intercalator |
| physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt;
salicylates | |
| n-amino-n,n-dimethylaminoethanol | [no description available] | medium | 1 | 0 | | |
| dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| prenalterol | [no description available] | medium | 1 | 0 | aromatic ether | |
| gastrin-releasing peptide | [no description available] | medium | 2 | 0 | | |
| 3-mercaptopropionic acid | [no description available] | medium | 1 | 0 | mercaptopropanoic acid | algal metabolite |
| masoprocol | [no description available] | medium | 1 | 0 | nordihydroguaiaretic acid | antineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite |
| 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 |
| 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 |
| 1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent |
| bw-755c | [no description available] | medium | 1 | 0 | | |
| chloral hydrate | [no description available] | medium | 1 | 0 | aldehyde hydrate;
ethanediol;
organochlorine compound | general anaesthetic;
mouse metabolite;
sedative;
xenobiotic |
| pyro(l-alpha-aminoadipyl)-l-histidyl-l-thiazolidine-4-carboxamide | [no description available] | medium | 1 | 0 | | |
| thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
| quinacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| phosphatidylcholines | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| n-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone | [no description available] | medium | 3 | 0 | | |
| dexetimide | [no description available] | medium | 1 | 0 | piperidines | |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| ketamine | [no description available] | medium | 2 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
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 |
| chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| lithium | [no description available] | medium | 1 | 0 | alkali metal atom | |
| fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| gaboxadol | [no description available] | medium | 1 | 0 | oxazole | |
| kojic amine | [no description available] | medium | 1 | 0 | | |
| isoxazoles | [no description available] | medium | 1 | 0 | isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| phlorhizin | [no description available] | medium | 1 | 0 | aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative | antioxidant;
plant metabolite |
| afdx 116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
| dicyclomine | [no description available] | medium | 1 | 0 | carboxylic ester;
tertiary amine | antispasmodic drug;
muscarinic antagonist;
parasympatholytic |
| saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
| citric acid, anhydrous | [no description available] | medium | 1 | 0 | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite |
| quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
| argipressin, deaminopenicillamine(1)-o-methyl-tyr(2)- | [no description available] | medium | 1 | 0 | | |
| adenosine | [no description available] | medium | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| methysergide | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
| iodine | [no description available] | medium | 1 | 0 | halide anion;
monoatomic iodine | human metabolite |
| gallopamil | [no description available] | medium | 1 | 0 | benzenes;
organic amino compound | |