| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| propazole | [no description available] | medium | 2 | 0 | benzimidazoles | |
| 1-amino-2-phenylethylphosphonic acid | [no description available] | medium | 2 | 0 | | |
| 1-amino-1-phenylmethyl phosphonic acid | [no description available] | medium | 1 | 0 | benzenes;
phosphonic acids;
primary amino compound | |
| 2-(3-pyridine)acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
pyridines | human xenobiotic metabolite |
| ureidosuccinic acid | [no description available] | medium | 1 | 0 | aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite |
| arabinofuranosylcytosine triphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside monophosphate | |
| aminoethylphosphonic acid | [no description available] | medium | 1 | 0 | phosphonic acids;
primary amino compound;
zwitterion | human metabolite;
metabolite;
mouse metabolite |
| gamma-guanidinobutyric acid | [no description available] | medium | 1 | 0 | guanidines;
monocarboxylic acid;
zwitterion | fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| inositol | [no description available] | medium | 1 | 0 | cyclitol;
hexol | |
| pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
| phenylalanine | [no description available] | medium | 1 | 0 | alpha-amino acid;
aromatic amino acid | Daphnia magna metabolite |
| nsc-267703 | [no description available] | medium | 1 | 0 | anthracycline | |
| n-acetyltryptophan | [no description available] | medium | 1 | 0 | N-acetyl-amino acid;
tryptophan derivative | metabolite |
| tyrphostin ag957 | [no description available] | medium | 1 | 0 | aromatic amine | |
| 2-amino-4-phosphonobutyric acid | [no description available] | medium | 1 | 0 | | |
| aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| benzylhydrochlorothiazide | [no description available] | medium | 1 | 0 | benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide | |
| eucalyptol | [no description available] | medium | 1 | 0 | | |
| amberlite cg 400 | [no description available] | medium | 1 | 0 | methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid | |
| stallimycin | [no description available] | medium | 1 | 0 | | |
| domperidone | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
| glyphosate | [no description available] | medium | 1 | 0 | glycine derivative;
phosphonic acid | agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide |
| 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 |
| miltefosine | [no description available] | medium | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| hypericin | [no description available] | medium | 1 | 0 | | |
| batyl alcohol | [no description available] | medium | 1 | 0 | alkylglycerol | |
| imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| nsc 664704 | [no description available] | medium | 1 | 0 | indolobenzazepine;
lactam;
organobromine compound | cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector |
| ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
| khellin | [no description available] | medium | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| 2-amino-3-phosphonopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids | human metabolite;
metabotropic glutamate receptor antagonist |
| benzylsuccinic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | bacterial xenobiotic metabolite |
| beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| mesoridazine | [no description available] | medium | 1 | 0 | phenothiazines;
sulfoxide;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic |
| methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid;
thiol | |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| phenolsulfonphthalein | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone | acid-base indicator;
diagnostic agent;
two-colour indicator |
| Picrotin, analytical standard | [no description available] | medium | 1 | 0 | furopyran | |
| pomiferin | [no description available] | medium | 1 | 0 | isoflavanones | |
| pridinol | [no description available] | medium | 1 | 0 | piperidines;
tertiary alcohol | antiparkinson drug;
muscle relaxant |
| sulfaquinoxaline | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide | |
| 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 |
| 4-methylglutamic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid;
glutamic acid derivative | |
| pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| veratramine | [no description available] | medium | 1 | 0 | piperidine alkaloid | |
| gibberellic acid | [no description available] | medium | 1 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound | mouse metabolite;
plant metabolite |
| santowhite powder | [no description available] | medium | 1 | 0 | | |
| fentichlor | [no description available] | medium | 1 | 0 | aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol | antiinfective agent;
drug allergen |
| pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid | algal metabolite |
| hexadecanolide | [no description available] | medium | 1 | 0 | macrolide | |
| pamoic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| carzenide | [no description available] | medium | 1 | 0 | sulfonamide | |
| estradiol 17 beta-cypionate | [no description available] | medium | 1 | 0 | steroid ester | |
| lithocholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| jervine | [no description available] | medium | 1 | 0 | piperidines | |
| bicuculline | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines | agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin |
| salicylurate | [no description available] | medium | 1 | 0 | N-acylglycine;
secondary carboxamide | human xenobiotic metabolite;
uremic toxin |
| 3,5-pyridinedicarboxylic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | |
| ricinine | [no description available] | medium | 1 | 0 | nitrile;
pyridine alkaloid;
pyridone | |
| carinamide | [no description available] | medium | 1 | 0 | | |
| hematoporphyrin | [no description available] | medium | 1 | 0 | | |
| 1H-indazol-3-amine | [no description available] | medium | 1 | 0 | indazoles | |
| 1,1'-methylenedi-2-naphthol | [no description available] | medium | 1 | 0 | | |
| tricarballylic acid | [no description available] | medium | 1 | 0 | tricarboxylic acid | |
| popop | [no description available] | medium | 1 | 0 | 1,3-oxazoles | fluorochrome |
| 2-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | food antioxidant |
| 7-hydroxychlorpromazine | [no description available] | medium | 1 | 0 | phenothiazines | |
| cme-carbodiimide | [no description available] | medium | 1 | 0 | | |
| cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
| strombine | [no description available] | medium | 1 | 0 | | |
| thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
| 1,4,5,8-naphthalenetetracarboxylic acid | [no description available] | medium | 1 | 0 | | |
| (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [no description available] | medium | 1 | 0 | anthracycline | |
| hydroxyphenylazouracil | [no description available] | medium | 1 | 0 | | |
| canadine | [no description available] | medium | 1 | 0 | aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle | |
| pimonidazole | [no description available] | medium | 1 | 0 | | |
| flavone acetic acid | [no description available] | medium | 1 | 0 | | |
| trichlorophene | [no description available] | medium | 1 | 0 | | |
| verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
| 4-aminomethylbenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
| cedrol | [no description available] | medium | 1 | 0 | cedrane sesquiterpenoid;
tertiary alcohol | |
| reserpic acid | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
| pifexole | [no description available] | medium | 1 | 0 | | |
| Diphenolic acid | [no description available] | medium | 1 | 0 | bisphenol | |
| Melicopidine | [no description available] | medium | 1 | 0 | acridines | |
| resorufin | [no description available] | medium | 1 | 0 | phenoxazine | |
| vinburnine | [no description available] | medium | 1 | 0 | alkaloid | |
| pacein | [no description available] | medium | 1 | 0 | | |
| alantolactone | [no description available] | medium | 1 | 0 | naphthofuran;
olefinic compound;
sesquiterpene lactone | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide | [no description available] | medium | 1 | 0 | | |
| tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| stictic acid | [no description available] | medium | 1 | 0 | aromatic ether | |
| gallocyanine | [no description available] | medium | 1 | 0 | | |
| propylsulfonic acid | [no description available] | medium | 1 | 0 | | |
| 1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide | [no description available] | medium | 1 | 0 | carbodiimide;
morpholines | cross-linking reagent |
| 6,6'-dithiodinicotinic acid | [no description available] | medium | 1 | 0 | | |
| va 061 | [no description available] | medium | 1 | 0 | | |
| n-acetyltyrosine, (dl)-isomer | [no description available] | medium | 1 | 0 | N-acetyl-amino acid;
phenols;
tyrosine derivative | human urinary metabolite |
| cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol;
cinchona alkaloid | metabolite |
| n(6)-(delta(2)-isopentenyl)adenine | [no description available] | medium | 1 | 0 | 6-isopentenylaminopurine | cytokinin |
| 2-Phthalimidoglutaricacid | [no description available] | medium | 1 | 0 | glutamic acid derivative | |
| nsc-87877 | [no description available] | medium | 1 | 0 | | |
| methyl lithocholate | [no description available] | medium | 1 | 0 | | |
| nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
| dimethacrine | [no description available] | medium | 1 | 0 | acridines | |
| dehydroabietic acid | [no description available] | medium | 2 | 0 | abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid | allergen;
metabolite |
| 4-deoxypyridoxine 5'-phosphate | [no description available] | medium | 1 | 0 | | |
| 4-(phenylthio)butanoic acid | [no description available] | medium | 1 | 0 | | |
| bis-a-tda | [no description available] | medium | 1 | 0 | | |
| 4-fluoro-alpha-hydroxybenzeneacetic acid | [no description available] | medium | 1 | 0 | | |
| Isopteropodin | [no description available] | medium | 1 | 0 | indolizines | |
| benzpiperylone | [no description available] | medium | 1 | 0 | pyrazoles;
ring assembly | |
| carboxyamido-triazole | [no description available] | medium | 1 | 0 | | |
| nsc 607097 | [no description available] | medium | 1 | 0 | | |
| pacifenol | [no description available] | medium | 1 | 0 | | |
| n-phenyliminodiacetic acid | [no description available] | medium | 1 | 0 | | |
| cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| cystamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| dipiperidinoethane-di-n-oxide | [no description available] | medium | 1 | 0 | | |
| benzyl-beta-d-xyloside | [no description available] | medium | 1 | 0 | | |
| 2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| 2,4-dinitrophenylacetic acid | [no description available] | medium | 1 | 0 | | |
| sitosterol, (3beta)-isomer | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
| (5-Phenyl-1,2,4-triazol-3-yl)urea | [no description available] | medium | 1 | 0 | benzenes | |
| fumagillol | [no description available] | medium | 1 | 0 | secondary alcohol;
sesquiterpenoid;
spiro-epoxide | antimicrobial agent |
| vacquinol-1 | [no description available] | medium | 1 | 0 | | |
| aspidospermine | [no description available] | medium | 1 | 0 | indole alkaloid | |
| guaiol | [no description available] | medium | 1 | 0 | guaiane sesquiterpenoid | |
| benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
| pseudoyohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
| gant58 | [no description available] | medium | 1 | 0 | pyridines | |
| nsc 88915 | [no description available] | medium | 1 | 0 | | |
| o-acetylsolasodine | [no description available] | medium | 1 | 0 | | |
| viroallosecurinine | [no description available] | medium | 1 | 0 | indolizines | |
| 4-methyl-2-quinazolinamine | [no description available] | medium | 1 | 0 | | |
| 1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid | [no description available] | medium | 1 | 0 | | |
| adamantoylcytarabine | [no description available] | medium | 1 | 0 | | |
| 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | naphthalenes | |
| noscapine | [no description available] | medium | 1 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite |
| LSM-1290 | [no description available] | medium | 1 | 0 | benzazepine alkaloid;
cyclic acetal | |
| 2-glycineamide-5-chlorophenyl-2-pyrryl ketone | [no description available] | medium | 1 | 0 | | |
| nsc 154020 | [no description available] | medium | 1 | 0 | N-glycosyl compound | |
| 4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid | [no description available] | medium | 1 | 0 | 2-hydroxyisophthalic acid | |
| 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one | [no description available] | medium | 1 | 0 | cyclic ketone;
quinuclidines | |
| 5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine | [no description available] | medium | 1 | 0 | benzodioxoles | |
| croton factor f1 | [no description available] | medium | 1 | 0 | phorbol ester;
tertiary alpha-hydroxy ketone | |
| medicarpin | [no description available] | medium | 1 | 0 | medicarpin | plant metabolite |
| gitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid | |
| aromoline | [no description available] | medium | 1 | 0 | | |
| nsc668394 | [no description available] | medium | 1 | 0 | | |
| gant 61 | [no description available] | medium | 1 | 0 | aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor |
| nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
| nsc 45641 | [no description available] | medium | 1 | 0 | | |
| geraniol | [no description available] | medium | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
| aconitic acid | [no description available] | medium | 1 | 0 | aconitic acid | fundamental metabolite |
| amygdalin | [no description available] | medium | 1 | 0 | | |
| alpha-phenylcinnamate | [no description available] | medium | 1 | 0 | | |
| curcumin | [no description available] | medium | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
| ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 1 | 0 | | |
| tamoxifen citrate | [no description available] | medium | 1 | 0 | citrate salt | angiogenesis inhibitor;
anticoronaviral agent |
| eskazine | [no description available] | medium | 1 | 0 | | |
| nsc 336628 | [no description available] | medium | 1 | 0 | | |
| 1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one | [no description available] | medium | 1 | 0 | oxopurine | |
| cambinol | [no description available] | medium | 1 | 0 | | |
| nsc 117199 | [no description available] | medium | 1 | 0 | | |
| mangostin | [no description available] | medium | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| coumestrol | [no description available] | medium | 1 | 0 | coumestans;
delta-lactone;
polyphenol | anti-inflammatory agent;
antioxidant;
plant metabolite |
| rottlerin | [no description available] | medium | 1 | 0 | aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone | anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite |
| ellagic acid | [no description available] | medium | 1 | 0 | catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent |
| 7,8-dimethylalloxazine | [no description available] | medium | 1 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
| dihydrothobainone | [no description available] | medium | 1 | 0 | | |
| piperic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles | plant metabolite |
| abscisic acid | [no description available] | medium | 1 | 0 | abscisic acids | |
| radicinin | [no description available] | medium | 1 | 0 | aromatic ketone | |
| 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid | [no description available] | medium | 1 | 0 | imidazopyrazine | |
| hispanolone | [no description available] | medium | 1 | 0 | | |
| veratridine | [no description available] | medium | 1 | 0 | | |
| zimelidine hydrochloride | [no description available] | medium | 1 | 0 | | |
| chlortetracycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| viridicatumtoxin | [no description available] | medium | 1 | 0 | | |
| dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
| hematein | [no description available] | medium | 1 | 0 | | |
| catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| 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 |
| D-proline | [no description available] | medium | 1 | 0 | D-alpha-amino acid zwitterion;
D-alpha-amino acid;
proline | mouse metabolite |
| 3-methoxytyrosine | [no description available] | medium | 1 | 0 | aromatic L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monomethoxybenzene;
non-proteinogenic L-alpha-amino acid | human metabolite |
| D-serine | [no description available] | medium | 1 | 0 | D-alpha-amino acid;
serine zwitterion;
serine | Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist |
| D-tyrosine | [no description available] | medium | 1 | 0 | D-alpha-amino acid zwitterion;
D-alpha-amino acid;
tyrosine | Escherichia coli metabolite |
| phenylalanine | [no description available] | medium | 1 | 0 | D-alpha-amino acid zwitterion;
D-alpha-amino acid;
phenylalanine | |
| n-myristoylglycine | [no description available] | medium | 1 | 0 | fatty amide;
N-acylglycine | human blood serum metabolite;
human urinary metabolite |
| beta-hydroxyphenylalanine | [no description available] | medium | 1 | 0 | | |
| 3,4-dihydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | | |
| quercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
| tyrosine | [no description available] | medium | 12 | 1 | 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 |
| cystine | [no description available] | medium | 1 | 0 | | |
| terbutaline | [no description available] | medium | 1 | 1 | phenylethanolamines;
resorcinols | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent |
| pulmicort | [no description available] | medium | 1 | 1 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
bronchodilator agent;
drug allergen |
| 3-bromotyrosine | [no description available] | medium | 2 | 0 | monocarboxylic acid | |
| 3-bromotyrosine | [no description available] | medium | 2 | 1 | monocarboxylic acid | |
| pentylenetetrazole | [no description available] | medium | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
| endothelin-1 | [no description available] | medium | 1 | 0 | | |
| chitosan | [no description available] | medium | 1 | 0 | | |
| glucuronic acid | [no description available] | medium | 1 | 0 | D-glucuronic acid | algal metabolite |
| phenylalanine | [no description available] | medium | 2 | 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 |
| naled | [no description available] | medium | 1 | 0 | dialkyl phosphate;
organobromine compound;
organochlorine compound;
organophosphate insecticide | acaricide;
agrochemical;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| bromosuccinimide | [no description available] | medium | 1 | 0 | dicarboximide;
organobromine compound;
pyrrolidinone | reagent |
| diiodotyrosine | [no description available] | medium | 1 | 0 | diiodotyrosine;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | human metabolite;
mouse metabolite |
| mocetinostat | [no description available] | medium | 1 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
| 3,5-dichlorotyrosine | [no description available] | medium | 1 | 0 | chloroamino acid;
dichlorobenzene;
dihalogenated L-tyrosine;
non-proteinogenic L-alpha-amino acid | |
| hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
| glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| aplysinamisine i | [no description available] | medium | 1 | 0 | | |
| oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| bromine | [no description available] | medium | 1 | 0 | diatomic bromine | |
| chlorine | [no description available] | medium | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
| dihydro-3-coumaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid | Escherichia coli metabolite;
human xenobiotic metabolite |
| 3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | antifungal agent;
human metabolite;
plant metabolite |
| gamma-aminobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| 4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| formic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antibacterial agent;
astringent;
metabolite;
protic solvent;
solvent |
| aminooxyacetic acid | [no description available] | low | 0 | 0 | amino acid;
hydroxylamines;
monocarboxylic acid | anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent |
| 4-oxo-4-(3-pyridyl)butanoic acid | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
pyridines | |
| 1-aminocyclopropane-1-carboxylic acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid | ethylene releasers;
plant metabolite |
| phosphonoacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phosphonic acids | antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| 5,6-dihydroorotate | [no description available] | low | 0 | 0 | monocarboxylic acid;
N-acylurea;
pyrimidinemonocarboxylic acid;
secondary amide | |
| hydantoin-5-propionic acid | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione;
monocarboxylic acid | metabolite;
mouse metabolite |
| indoleacetic acid | [no description available] | low | 0 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
| melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite |
| phenylacetic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| phosphoenolpyruvate | [no description available] | low | 0 | 0 | carboxyalkyl phosphate;
monocarboxylic acid | fundamental metabolite |
| 4-(2,4-dichlorophenoxy)butyric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound | agrochemical;
phenoxy herbicide;
synthetic auxin |
| homovanillic acid | [no description available] | low | 0 | 0 | guaiacols;
monocarboxylic acid | human metabolite;
mouse metabolite |
| acemetacin | [no description available] | low | 0 | 0 | carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| alminoprofen | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline | antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| alpha-methyl-m-tyrosine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| amlexanox | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridochromene | anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug |
| baclofen | [no description available] | low | 0 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| bendazac | [no description available] | low | 0 | 0 | indazoles;
monocarboxylic acid | non-steroidal anti-inflammatory drug;
radical scavenger |
| metrizoate | [no description available] | low | 0 | 0 | monocarboxylic acid | radioopaque medium |
| carbidopa | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| cetirizine | [no description available] | low | 0 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| cetraxate | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| chlorambucil | [no description available] | low | 0 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chrysanthemic acid | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid | plant metabolite |
| ciprofibrate | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| clofibric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist |
| diclofenac | [no description available] | low | 0 | 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 |
| enoxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| ethacrynic acid | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| etodolac | [no description available] | low | 0 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 4-biphenylylacetic acid | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| fenoprofen | [no description available] | low | 0 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| fleroxacin | [no description available] | low | 0 | 0 | difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines | antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| flurbiprofen | [no description available] | low | 0 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ibuprofen | [no description available] | low | 0 | 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 |
| ici 204448 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| indoprofen | [no description available] | low | 0 | 0 | gamma-lactam;
isoindoles;
monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| iopanoic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| ketorolac | [no description available] | low | 0 | 0 | amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate | analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| loxoprofen | [no description available] | low | 0 | 0 | cyclopentanones;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| meclofenoxate | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| sarkolysin | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| mesalamine | [no description available] | low | 0 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
| 3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| nalidixic acid | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| oxonic acid | [no description available] | low | 0 | 0 | 1,3,5-triazines;
monocarboxylic acid | |
| oxyphencyclimine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4-phenylbutyric acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| pipemidic acid | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| piromidic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound | antibacterial drug;
DNA synthesis inhibitor |
| SU5402 | [no description available] | low | 0 | 0 | monocarboxylic acid;
oxindoles;
pyrroles | fibroblast growth factor receptor antagonist |
| suprofen | [no description available] | low | 0 | 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 |
| suxibuzone | [no description available] | low | 0 | 0 | hemisuccinate;
monocarboxylic acid;
pyrazolidines | antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug |
| tiaprofenic acid | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | drug allergen;
non-steroidal anti-inflammatory drug |
| tolmetin | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| tosufloxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound | |
| tyropanoate | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| zomepirac | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles | cardiovascular drug;
non-steroidal anti-inflammatory drug |
| trichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
| dichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound | astringent;
marine metabolite |
| bis(p-chlorophenyl)acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes | |
| 2-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | human xenobiotic metabolite |
| mecoprop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | |
| fenoprop | [no description available] | low | 0 | 0 | monocarboxylic acid | phenoxy herbicide |
| piperonylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid | antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary |
| 2-methyl-4-chlorophenoxy gamma-butyric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
xenobiotic |
| iophenoxic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| 2-methylvaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid | flavouring agent;
fragrance;
plant metabolite |
| cyclohexanecarboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| diphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | xenobiotic metabolite |
| dichlorprop | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
monocarboxylic acid | |
| amprotropine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| cyanoacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| difluoroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound | |
| 5-methylpyrazole-3-carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyrazoles | metabolite |
| hydantoic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
N-acylglycine;
ureas | rat metabolite;
xenobiotic metabolite |
| abietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid;
monocarboxylic acid | plant metabolite |
| 3-aminobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
beta-amino acid;
monocarboxylic acid | metabolite |
| 4-carboxybenzaladehyde | [no description available] | low | 0 | 0 | benzaldehydes;
benzoic acids;
monocarboxylic acid | plant metabolite |
| 3-hydroxybenzeneacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | human xenobiotic metabolite |
| methoxyacetic acid | [no description available] | low | 0 | 0 | ether;
monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen |
| dibromoacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid | apoptosis inducer;
geroprotector;
marine metabolite |
| hadacidin | [no description available] | low | 0 | 0 | aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent |
| 3-hydroxypicolinic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monohydroxypyridine | MALDI matrix material |
| dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols;
monocarboxylic acid;
phenylpropanoid | antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite |
| ibufenac | [no description available] | low | 0 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| cyclopropanecarboxylic acid | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid | |
| (4-tert-Butyl-phenoxy)-acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 3-methoxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4-chlorophenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes | xenobiotic metabolite |
| 4-hydroxyphenoxyacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 5-phenylvaleric acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| 2-(4-chlorophenoxy)propionic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | phenoxy herbicide |
| bumadizone | [no description available] | low | 0 | 0 | carbohydrazide;
monocarboxylic acid | antipyretic;
non-steroidal anti-inflammatory drug |
| phenoxyacetic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid | allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant |
| nafenopin | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid | |
| 3-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | antibacterial agent;
bacterial xenobiotic metabolite |
| ochratoxin b | [no description available] | low | 0 | 0 | isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite |
| cyclohexaneacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| glucoheptonate | [no description available] | low | 0 | 0 | carbohydrate acid;
monocarboxylic acid | metabolite |
| alclofenac | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 6-methoxy-2-naphthylacetic acid | [no description available] | low | 0 | 0 | methoxynaphthalene;
monocarboxylic acid | drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite |
| 7-aminodesacetoxycephalosporanic acid | [no description available] | low | 0 | 0 | cephalosporin;
monocarboxylic acid | |
| carbidopa | [no description available] | low | 0 | 0 | catechols;
hydrazines;
monocarboxylic acid | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| butyl(3-carboxypropyl)nitrosamine | [no description available] | low | 0 | 0 | monocarboxylic acid;
nitrosamine | carcinogenic agent |
| carbidopa | [no description available] | low | 0 | 0 | catechols;
hydrate;
hydrazines;
monocarboxylic acid | antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| ticrynafen | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic |
| 2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid | |
| bezafibrate | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| lonidamine | [no description available] | low | 0 | 0 | dichlorobenzene;
indazoles;
monocarboxylic acid | antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector |
| benoxaprofen | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes | antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | low | 0 | 0 | chromanol;
monocarboxylic acid;
phenols | antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor |
| triclopyr | [no description available] | low | 0 | 0 | aromatic ether;
chloropyridine;
monocarboxylic acid | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| acifluorfen | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| 4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | environmental contaminant;
herbicide;
xenobiotic |
| haloxyfop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | |
| pefloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor |
| imazaquin | [no description available] | low | 0 | 0 | imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid | |
| difloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
Mycoplasma genitalium metabolite |
| brequinar | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor |
| temafloxacin | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound | |
| adapalene | [no description available] | low | 0 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid | dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug |
| valsartan | [no description available] | low | 0 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| fenofibric acid | [no description available] | low | 0 | 0 | aromatic ketone;
chlorobenzophenone;
monocarboxylic acid | drug metabolite;
marine xenobiotic metabolite |
| salvin | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid | angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite |
| tetraiodothyroacetic acid | [no description available] | low | 0 | 0 | 2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid | apoptosis inducer;
human metabolite;
thyroid hormone |
| etofibrate | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| fradafiban | [no description available] | low | 0 | 0 | carboxamidine;
monocarboxylic acid;
pyrrolidin-2-ones | platelet glycoprotein-IIb/IIIa receptor antagonist |
| phenylacetylglycine | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine | human metabolite;
mouse metabolite |
| lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes;
pyrazoles | antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| miroprofen | [no description available] | low | 0 | 0 | imidazopyridine;
monocarboxylic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor |
| flunoxaprofen | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound | antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| tianeptine | [no description available] | low | 0 | 0 | dibenzothiazepine;
monocarboxylic acid;
organochlorine compound | |
| binifibrate | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 5-imidazolepropionic acid | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid | |
| aceclofenac | [no description available] | low | 0 | 0 | amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gr 117289 | [no description available] | low | 0 | 0 | 1-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles | angiotensin receptor antagonist;
antihypertensive agent |
| alborixin | [no description available] | low | 0 | 0 | cyclic hemiketal;
monocarboxylic acid;
oxolanes;
polyether antibiotic | ionophore |
| madecassic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
tetrol | antioxidant;
plant metabolite |
| monotropein | [no description available] | low | 0 | 0 | beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative | anti-inflammatory agent;
metabolite |
| 3-(3,4-dimethoxyphenyl)propanoic acid | [no description available] | low | 0 | 0 | dimethoxybenzene;
monocarboxylic acid | |
| n-methylhippuric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
N-acylglycine | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| methylimidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid | GABA agonist;
metabolite |
| 6-carboxyfluorescein | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4-(2-thienyl)butyric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
thiophenes | hapten |
| 3-(trimethylsilyl)propionic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organosilicon compound | NMR chemical shift reference compound |
| 3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| ritalinic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
piperidines | drug metabolite;
marine xenobiotic metabolite |
| indole-1-acetic acid | [no description available] | low | 0 | 0 | indolyl carboxylic acid;
monocarboxylic acid | |
| (1-hydroxycyclopentyl)phenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
tertiary alcohol | |
| fluazifop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines | |
| quinclorac | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound;
quinolinemonocarboxylic acid | agrochemical;
herbicide;
synthetic auxin |
| gypsogenin | [no description available] | low | 0 | 0 | aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin | |
| beta-hydroxyphenylpropionic acid | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid;
monocarboxylic acid | |
| salicylamide-2-acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2,6-dichloroisonicotinic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound;
pyridines | EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor |
| 1-phenazinecarboxylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid;
monocarboxylic acid;
phenazines | antifungal agent;
antimicrobial agent;
bacterial metabolite |
| imidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid | metabolite;
mouse metabolite |
| 2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid | [no description available] | low | 0 | 0 | imidothioate;
monocarboxylic acid | |
| alpha-methylphenylalanine | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| aristolochic acid ii | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| 4'-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| asiatic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
triol | angiogenesis modulating agent;
metabolite |
| bw 245c | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol | |
| piscidic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| mitiglinide | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| celastrol | [no description available] | low | 0 | 0 | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite |
| 4-carboxyfluorescein | [no description available] | low | 0 | 0 | monocarboxylic acid | fluorochrome |
| vadimezan | [no description available] | low | 0 | 0 | monocarboxylic acid;
xanthones | antineoplastic agent |
| ectoine | [no description available] | low | 0 | 0 | 1,4,5,6-tetrahydropyrimidines;
carboxamidine;
monocarboxylic acid;
zwitterion | osmolyte |
| chrysobactin | [no description available] | low | 0 | 0 | catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound | bacterial metabolite;
siderophore |
| cd 437 | [no description available] | low | 0 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols | apoptosis inducer;
retinoic acid receptor gamma agonist |
| agn 190299 | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridines;
retinoid;
thiochromane | keratolytic drug;
teratogenic agent |
| cox 189 | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| varespladib | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor |
| naproxen | [no description available] | low | 0 | 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 |
| clofibride | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| carbazic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
one-carbon compound | |
| endocrocin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
trihydroxyanthraquinone | metabolite |
| 3,5-diiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols | |
| aristolochic acid D | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
nephrotoxin;
toxin |
| 3,5-dihydroxyphenylpropionic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| acetyl aleuritolic acid | [no description available] | low | 0 | 0 | acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid | antineoplastic agent;
plant metabolite |
| fukiic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| delta-1-piperidine-6-carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
tetrahydropyridine | mammalian metabolite |
| aristolochic acid c | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| 3-hydroxy-5-cholestenoic acid | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid | bacterial metabolite |
| enrasentan | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol | antihypertensive agent;
endothelin receptor antagonist |
| quizalofop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative | |
| 9-mercaptodethiobiotin | [no description available] | low | 0 | 0 | imidazolidinone;
monocarboxylic acid;
thiol;
ureas | Escherichia coli metabolite |
| proclavaminic acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
azetidines;
monocarboxylic acid | |
| orantinib | [no description available] | low | 0 | 0 | monocarboxylic acid;
oxindoles;
pyrroles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| deferasirox | [no description available] | low | 0 | 0 | benzoic acids;
monocarboxylic acid;
phenols;
triazoles | iron chelator |
| sandaracopimaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid | plant metabolite |
| 7-methoxycoumarin-4-acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | fluorochrome |
| monensin | [no description available] | low | 0 | 0 | cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal | antifungal agent;
coccidiostat;
ionophore |
| isopimaric acid | [no description available] | low | 0 | 0 | carbotricyclic compound;
diterpenoid;
monocarboxylic acid | |
| nanaomycin a | [no description available] | low | 0 | 0 | benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones | bacterial metabolite |
| theogallin | [no description available] | low | 0 | 0 | gallate ester;
monocarboxylic acid;
tertiary alcohol | |
| bispyribac | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines | herbicide |
| pyochelin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
thiazolidines | metabolite;
siderophore |
| yersiniabactin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines | bacterial metabolite;
siderophore |
| mycophenolic acid | [no description available] | low | 0 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| mupirocin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor |
| gw 409544 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| steviol | [no description available] | low | 0 | 0 | bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid | antineoplastic agent |
| bevirimat | [no description available] | low | 0 | 0 | dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid | HIV-1 maturation inhibitor;
metabolite |
| bromochloroacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound | |
| neurosporaxanthin | [no description available] | low | 0 | 0 | apo carotenoid C35 terpenoid;
monocarboxylic acid | |
| canrenoic acid | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid;
monocarboxylic acid;
steroid acid | |
| dexketoprofen | [no description available] | low | 0 | 0 | benzophenones;
monocarboxylic acid | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| sulindac | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
| epalrestat | [no description available] | low | 0 | 0 | monocarboxylic acid;
thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| 2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| olivetolic acid | [no description available] | low | 0 | 0 | benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols | metabolite |
| 2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| helvolic acid | [no description available] | low | 0 | 0 | 3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid | antibacterial agent;
fungal metabolite;
mycotoxin |
| 6-oxopiperidine-2-carboxylate | [no description available] | low | 0 | 0 | delta-lactam;
monocarboxylic acid | bacterial metabolite |
| 3-sulfinopropionic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organosulfinic acid | |
| amibegron | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| ifetroban | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| chuangxinmycin | [no description available] | low | 0 | 0 | indole alkaloid;
monocarboxylic acid;
thiinoindole | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor |
| 5-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| 2-oxindole-3-acetic acid | [no description available] | low | 0 | 0 | indole-3-acetic acids;
monocarboxylic acid;
oxindoles | plant metabolite |
| 2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | low | 0 | 0 | adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid | adenosine A2A receptor agonist;
anti-inflammatory agent |
| 3-phenyl-3-(1-tetrazolyl)propanoic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| gw 7647 | [no description available] | low | 0 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
| l 663536 | [no description available] | low | 0 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
| clopidogrel carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine | drug metabolite;
marine xenobiotic metabolite |
| 4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid | [no description available] | low | 0 | 0 | gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone | |
| 2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| sm 21 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| dinoprost | [no description available] | low | 0 | 0 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| montelukast | [no description available] | low | 0 | 0 | aliphatic sulfide;
monocarboxylic acid;
quinolines | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist |
| sofalcone | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
monocarboxylic acid | anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite |
| 16,16-dimethylprostaglandin e2 | [no description available] | low | 0 | 0 | cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol | anti-ulcer drug;
gastrointestinal drug;
radiation protective agent |
| iloprost | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
secondary alcohol | platelet aggregation inhibitor;
vasodilator agent |
| rosmarinic acid | [no description available] | low | 0 | 0 | carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol | antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor |
| 13,14-dihydroretinoic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
retinoid | |
| sulindac sulfide | [no description available] | low | 0 | 0 | aryl sulfide;
monocarboxylic acid;
organofluorine compound | antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug |
| lasalocid | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol | bacterial metabolite;
coccidiostat;
ionophore |
| sulindac sulfone | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound;
sulfone | apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| clodinafop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide |
| robenacoxib | [no description available] | low | 0 | 0 | aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| sdz eaa 494 | [no description available] | low | 0 | 0 | monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound | anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist |
| valerenic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid | GABA modulator;
plant metabolite;
sedative;
volatile oil component |
| ici 215001 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| beraprost | [no description available] | low | 0 | 0 | enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol | anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent |
| gemifloxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor |
| gw 501516 | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist |
| brl 37344 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| cp533536 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| mre 269 | [no description available] | low | 0 | 0 | aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound | drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent |
| gw0742 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| carmine | [no description available] | low | 0 | 0 | C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone | animal metabolite;
histological dye |
| ki16425 | [no description available] | low | 0 | 0 | carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide | |
| myrsinoic acid b | [no description available] | low | 0 | 0 | 1-benzofurans;
monocarboxylic acid | anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite |
| triptohypol C | [no description available] | low | 0 | 0 | benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid | apoptosis inducer;
plant metabolite |
| artemisic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid | metabolite |
| tafamidis | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid | central nervous system drug |
| dihydroartemisinic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid | plant metabolite |
| finafloxacin | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound | antibacterial drug;
antimicrobial agent |
| pyrostatin a | [no description available] | low | 0 | 0 | 1,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol | |
| roburic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid | plant metabolite |
| imidazoleacetic acid ribotide | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate | |
| vanchrobactin | [no description available] | low | 0 | 0 | catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol | bacterial metabolite;
marine metabolite;
siderophore |
| spongia-13(16),14-dien-19-oic acid | [no description available] | low | 0 | 0 | cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid | androgen antagonist;
metabolite |
| cathestatin b | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound | antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite |
| borrelidin | [no description available] | low | 0 | 0 | aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol | antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite |
| germacra-1(10),4,11(13)-trien-12-oic acid | [no description available] | low | 0 | 0 | germacrane sesquiterpenoid;
monocarboxylic acid | |
| ascr#5 | [no description available] | low | 0 | 0 | monocarboxylic acid;
omega-hydroxy fatty acid ascaroside | Caenorhabditis elegans metabolite;
pheromone |
| tropodithietic acid | [no description available] | low | 0 | 0 | cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound | antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin |
| fumimycin | [no description available] | low | 0 | 0 | 1-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol | antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor |
| 3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid | antineoplastic agent;
metabolite |
| 3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid | antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist |
| lesinurad | [no description available] | low | 0 | 0 | aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles | uricosuric drug |
| saroglitazar | [no description available] | low | 0 | 0 | aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles | hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist |
| gsk2879552 | [no description available] | low | 0 | 0 | benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |