| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| carnitine | [no description available] | medium | 1 | 0 | amino-acid betaine | human metabolite;
mouse metabolite |
| p-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
| sulfobromophthalein sodium | [no description available] | medium | 1 | 0 | organic sodium salt | dye |
| taurocholic acid | [no description available] | medium | 1 | 0 | amino sulfonic acid;
bile acid taurine conjugate | human metabolite |
| tyrosyl-glycyl-glycine | [no description available] | medium | 2 | 0 | tripeptide zwitterion;
tripeptide | metabolite |
| quinidine | [no description available] | medium | 2 | 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 |
| enkephalin, leucine | [no description available] | medium | 1 | 0 | pentapeptide;
peptide zwitterion | analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite |
| estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid;
steroid sulfate | human metabolite;
mouse metabolite |
| cyclosporine | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
| alanyl-alanyl-alanyl-alanine | [no description available] | medium | 1 | 0 | | |
| tyrosyl-alanyl-glycine | [no description available] | medium | 1 | 0 | | |
| enkephalin, leucine-2-alanine | [no description available] | medium | 1 | 0 | | |
| sincalide | [no description available] | medium | 1 | 0 | oligopeptide | |
| glycine | [no description available] | medium | 7 | 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 |
| 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 |
| glycyl-glycyl-glycine | [no description available] | medium | 8 | 0 | tripeptide zwitterion;
tripeptide | |
| glycylglycine | [no description available] | medium | 6 | 0 | dipeptide zwitterion;
dipeptide | human metabolite |
| tyrosyltyrosine | [no description available] | medium | 1 | 0 | tyrosyltyrosine | Mycoplasma genitalium metabolite |
| leucylleucine | [no description available] | medium | 1 | 0 | dipeptide;
L-aminoacyl-L-amino acid zwitterion | human metabolite;
Mycoplasma genitalium metabolite |
| phenylalanylphenylalanylamide | [no description available] | medium | 1 | 0 | | |
| Trp-Trp | [no description available] | medium | 2 | 0 | dipeptide | Mycoplasma genitalium metabolite |
| glycyltryptophan | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| glycyltyrosine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| glycylleucine | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | metabolite |
| alanyltyrosine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| glycyl-l-phenylalanine | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | human metabolite;
metabolite |
| glycylsarcosine | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | |
| alanylphenylalanine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| tryptophylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| glycylaspartic acid | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| n-glycylglutamic acid | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| histidylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| valylvaline | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
| glycyl-leucyl-phenylalanine | [no description available] | medium | 1 | 0 | oligopeptide | |
| lysyllysine | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
| aspartylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| arginylarginine | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
| n-valyltryptophan | [no description available] | medium | 1 | 0 | peptide | |
| prolylglutamic acid | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| glutamyl-glutamic acid | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
| aspartyl-aspartic acid | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
| n-glycylalanine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| glycylproline | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | metabolite |
| glycyllysine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| alanylalanine | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | Mycoplasma genitalium metabolite |
| phenylalanylalanine | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | metabolite |
| prolylglycine | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | |
| arginyllysine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| phenylalanylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| histidylhistidine | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
| lysylglutamic acid | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| Ala-Lys | [no description available] | medium | 1 | 0 | dipeptide | marine metabolite |
| valyl-valyl-valine | [no description available] | medium | 1 | 0 | peptide | |
| lysylglycine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| glycylhistidine | [no description available] | medium | 1 | 0 | dipeptide zwitterion;
dipeptide | metabolite |
| prolyl-serine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
| prolyl-proline | [no description available] | medium | 1 | 0 | dipeptide | human urinary metabolite;
Mycoplasma genitalium metabolite |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| erythromycin | [no description available] | medium | 2 | 0 | cyclic ketone;
erythromycin | |
| cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| tetracycline | [no description available] | medium | 2 | 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 | 2 | 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 |
| 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 |
| acebutolol | [no description available] | medium | 1 | 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 | 1 | 0 | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| 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 |
| atenolol | [no description available] | medium | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| 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 |
| buspirone | [no description available] | medium | 1 | 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 |
| verapamil | [no description available] | medium | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| carbidopa | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid | |
| carvedilol | [no description available] | medium | 1 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
| celiprolol | [no description available] | medium | 1 | 0 | aromatic ketone | |
| 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 |
| 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 |
| cinoxacin | [no description available] | medium | 1 | 0 | cinnolines;
oxacycle;
oxo carboxylic acid | antibacterial drug;
antiinfective agent |
| ciprofloxacin | [no description available] | medium | 1 | 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 |
| citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| 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 |
| desipramine | [no description available] | medium | 1 | 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 |
| 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 |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| 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 |
| metoprolol | [no description available] | medium | 1 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
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 | |
| oxprenolol | [no description available] | medium | 1 | 0 | aromatic ether | |
| 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 |
| pindolol | [no description available] | medium | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| 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 |
| sotalol | [no description available] | medium | 1 | 0 | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic |
| 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 |
| trazodone | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine | adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| 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 | 2 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
| 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 | 2 | 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 | |
| phenylpiperazine | [no description available] | medium | 1 | 0 | | |
| 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 | 1 | 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 |
| 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 |
| 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 | 1 | 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 |
| timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| 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 | |
| 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 |
| kampirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| 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 |
| atropine | [no description available] | medium | 1 | 0 | | |
| phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | |
| 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 |
| cocaine | [no description available] | medium | 1 | 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 |
| 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 |
| chlortetracycline | [no description available] | medium | 1 | 0 | | |
| clozapine | [no description available] | medium | 1 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| 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 |
| octaarginine | [no description available] | medium | 3 | 0 | | |
| exenatide | [no description available] | medium | 1 | 0 | | |
| histidine | [no description available] | medium | 2 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| 1-palmitoyl-2-oleoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | (18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambdalambda(5)-phosphatetracosan-18-yl icosanoate;
phosphatidylethanolamine | |
| cobalt | [no description available] | medium | 2 | 0 | cobalt group element atom;
metal allergen | micronutrient |
| nickel | [no description available] | medium | 4 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| sulfites | [no description available] | medium | 3 | 0 | divalent inorganic anion;
sulfur oxide;
sulfur oxoanion | |
| 2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
| hydrochloric acid | [no description available] | medium | 1 | 0 | chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride | mouse metabolite |
| deoxyguanosine | [no description available] | medium | 2 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| sulfur dioxide | [no description available] | medium | 1 | 0 | sulfur oxide | Escherichia coli metabolite;
food bleaching agent;
refrigerant |
| guanine | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine;
purine nucleobase | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| phenyl acetate | [no description available] | medium | 1 | 0 | benzenes;
phenyl acetates | |