| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| kainic acid | [no description available] | medium | 5 | 0 | dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid | antinematodal drug;
excitatory amino acid agonist |
| 4,6-dinitro-o-cresol | [no description available] | medium | 1 | 0 | dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene | dinitrophenol insecticide;
fungicide;
herbicide |
| glutamic acid | [no description available] | medium | 3 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| 2-tyrosine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative | |
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 1 | 0 | | |
| 3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid | |
| fg 9041 | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
| 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid | [no description available] | medium | 1 | 0 | biotins | |
| benzbromarone | [no description available] | medium | 2 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| 9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
| benzo(b)fluoranthene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | mutagen |
| malononitrile dimer | [no description available] | medium | 1 | 0 | | |
| toxoflavin | [no description available] | medium | 1 | 0 | carbonyl compound;
pyrimidotriazine | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor |
| methyl fluorone black | [no description available] | medium | 1 | 0 | | |
| biotin | [no description available] | medium | 1 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
| desthiobiotin | [no description available] | medium | 1 | 0 | dethiobiotin | |
| 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 1 | 0 | pyrimidotriazine | |
| 5-bromo-3-ethyl-1H-indole-2-carboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| 2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone | [no description available] | medium | 1 | 0 | benzofurans | |
| 3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one | [no description available] | medium | 1 | 0 | quinazolines | |
| 2-amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile | [no description available] | medium | 1 | 0 | phenylpyridine | |
| 1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 1 | 0 | pyrimidotriazine | |
| 1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
| N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| 2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione | [no description available] | medium | 1 | 0 | quinolines | |
| 6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine | [no description available] | medium | 1 | 0 | phenylpyridine | |
| 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one | [no description available] | medium | 1 | 0 | benzofurans | |
| 2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
| 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide | [no description available] | medium | 1 | 0 | benzimidazoles | |
| 2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide | [no description available] | medium | 1 | 0 | benzofurans | |
| 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbothioamide | [no description available] | medium | 1 | 0 | toluenes | |
| 1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
| 2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
| 3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione | [no description available] | medium | 1 | 0 | triazoles | |
| 2-(2-quinoxalinylthio)propanoic acid | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
| 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 |
| 3-bromo-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
| 3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one | [no description available] | medium | 1 | 0 | benzofurans | |
| 6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid | [no description available] | medium | 1 | 0 | phenylpyridine | |
| lissamine rhodamine b | [no description available] | medium | 1 | 0 | organic sodium salt | fluorescent probe;
fluorochrome;
histological dye |
| methacycline monohydrochloride | [no description available] | medium | 1 | 0 | | |
| clotrimazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| flutrimazole | [no description available] | medium | 1 | 0 | imidazole antifungal drug;
imidazoles;
monofluorobenzenes | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester | antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent |
| raloxifene | [no description available] | medium | 1 | 0 | 1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| sulconazole | [no description available] | medium | 1 | 0 | dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide | |
| thyroxine | [no description available] | medium | 1 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
| lithocholic acid | [no description available] | medium | 2 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| fulvestrant | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide | antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist |
| nbi 27914 | [no description available] | medium | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
| 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | [no description available] | medium | 1 | 0 | carbotetracyclic compound;
polyphenol | estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent |
| 6-bromoindirubin-3'-oxime | [no description available] | medium | 1 | 0 | | |
| gw 7647 | [no description available] | medium | 1 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
| jhw 015 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
| pregna-4,17-diene-3,16-dione, (17z)-isomer | [no description available] | medium | 1 | 0 | | |
| gw 4064 | [no description available] | medium | 1 | 0 | stilbenoid | |
| aurintricarboxylic acid | [no description available] | medium | 4 | 0 | monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid | fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist |
| lucanthone | [no description available] | medium | 2 | 0 | thioxanthenes | adjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug |
| 7-nitro-1h-indole-2-carboxylic acid | [no description available] | medium | 2 | 0 | | |
| myricetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
| e 3330 | [no description available] | medium | 2 | 0 | | |
| hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| mitoxantrone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
| 3,3',4,4',5,5'-hexabromobiphenyl | [no description available] | medium | 1 | 0 | | |
| tanshinone ii a | [no description available] | medium | 2 | 0 | abietane diterpenoid | |
| ag 538 | [no description available] | medium | 1 | 0 | | |
| thiolactomycin | [no description available] | medium | 1 | 0 | | |
| galloflavin | [no description available] | medium | 1 | 0 | | |
| amlodipine | [no description available] | medium | 1 | 0 | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| miltefosine | [no description available] | medium | 2 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| azoxybacilin | [no description available] | medium | 1 | 0 | | |
| celastrol | [no description available] | medium | 2 | 0 | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite |
| pld118 | [no description available] | medium | 1 | 0 | | |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| benidipine | [no description available] | medium | 1 | 0 | | |
| flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| 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 |
| tavaborole | [no description available] | medium | 1 | 0 | benzoxaborole;
organofluorine compound | antifungal agent;
EC 6.1.1.4 (leucine--tRNA ligase) inhibitor;
protein synthesis inhibitor |
| 4-nonylphenol | [no description available] | medium | 1 | 0 | phenols | environmental contaminant |
| ag 127 | [no description available] | medium | 1 | 0 | nitrophenol | |
| albuterol | [no description available] | medium | 1 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| benzyl isothiocyanate | [no description available] | medium | 1 | 0 | benzenes;
isothiocyanate | antibacterial drug |
| bithionol | [no description available] | medium | 1 | 0 | aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol | antifungal agrochemical;
antiplatyhelmintic drug |
| candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| dephostatin | [no description available] | medium | 1 | 0 | | |
| dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
diarylmethane | |
| 2,3-dimethoxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
| 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 |
| gossypol | [no description available] | medium | 2 | 0 | | |
| harmalol | [no description available] | medium | 1 | 0 | harmala alkaloid | algal metabolite;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| juglone | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | geroprotector;
herbicide;
reactive oxygen species generator |
| lapachol | [no description available] | medium | 1 | 0 | | |
| beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| mesalamine | [no description available] | medium | 1 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
| patulin | [no description available] | medium | 1 | 0 | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite |
| primaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial |
| protoporphyrin ix | [no description available] | medium | 1 | 0 | | |
| 3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | [no description available] | medium | 1 | 0 | indoles | |
| alloxan | [no description available] | medium | 1 | 0 | pyrimidone | hyperglycemic agent;
metabolite |
| cetrimonium bromide | [no description available] | medium | 1 | 0 | organic bromide salt;
quaternary ammonium salt | detergent;
surfactant |
| levodopa | [no description available] | medium | 6 | 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 |
| purpurin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | biological pigment;
histological dye;
plant metabolite |
| lawsone | [no description available] | medium | 1 | 0 | | |
| chloranil | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite |
| benzethonium chloride | [no description available] | medium | 1 | 0 | aromatic ether;
chloride salt;
quaternary ammonium salt | antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant |
| 1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
| evans blue | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent |
| plumbagin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite |
| apiole | [no description available] | medium | 1 | 0 | benzodioxoles | metabolite |
| gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
| hematoporphyrin | [no description available] | medium | 1 | 0 | | |
| erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone;
erythromycin | |
| agaric acid | [no description available] | medium | 1 | 0 | | |
| ethidium bromide | [no description available] | medium | 1 | 0 | organic bromide salt | geroprotector;
intercalator;
trypanocidal drug |
| 2-methoxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones;
enol ether | antimicrobial agent;
metabolite;
plant metabolite |
| cetylpyridinium chloride | [no description available] | medium | 1 | 0 | hydrate | |
| diacerein | [no description available] | medium | 1 | 0 | anthraquinone | |
| paclitaxel | [no description available] | medium | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| closantel | [no description available] | medium | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols | |
| adapalene | [no description available] | medium | 1 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid | dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug |
| epigallocatechin gallate | [no description available] | medium | 2 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
| sennoside A | [no description available] | medium | 1 | 0 | oxo dicarboxylic acid;
sennosides | |
| lobaric acid | [no description available] | medium | 1 | 0 | carbonyl compound | |
| zpck | [no description available] | medium | 1 | 0 | | |
| epicatechin gallate | [no description available] | medium | 1 | 0 | catechin;
gallate ester;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
| sb 204070a | [no description available] | medium | 1 | 0 | | |
| oxidopamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| solidagenone | [no description available] | medium | 1 | 0 | | |
| gossypol acetic acid | [no description available] | medium | 1 | 0 | | |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 1 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
| euphol | [no description available] | medium | 1 | 0 | triterpenoid | |
| s-(4-azidophenacyl)glutathione | [no description available] | medium | 1 | 0 | peptide | |
| tretinoin | [no description available] | medium | 1 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
| arachidonic acid | [no description available] | medium | 1 | 0 | icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid | Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite |
| riboflavin | [no description available] | medium | 1 | 0 | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite |
| 4'-methoxychalcone | [no description available] | medium | 1 | 0 | chalcones | |
| calmidazolium | [no description available] | medium | 1 | 0 | organic chloride salt | apoptosis inducer;
calmodulin antagonist |
| parthenolide, (1ar-(1ar*,4e,7as*,10as*,10br*))-isomer | [no description available] | medium | 1 | 0 | germacranolide | |
| 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 |
| succimer | [no description available] | medium | 1 | 0 | dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid | chelator |
| l 663536 | [no description available] | medium | 1 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
| retinol palmitate | [no description available] | medium | 1 | 0 | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite |
| gossypetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | plant metabolite |
| vitamin d 2 | [no description available] | medium | 1 | 0 | hydroxy seco-steroid;
seco-ergostane;
vitamin D | bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide |
| cholecalciferol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
| mangostin | [no description available] | medium | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| morin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent |
| 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 |
| n-oleoyldopamine | [no description available] | medium | 1 | 0 | catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide | TRPV1 agonist |
| 4-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones;
phenols | antihypertensive agent;
plant metabolite |
| 4'-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones;
phenols | anti-inflammatory agent;
antineoplastic agent |
| ethamolin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent |
| nalbuphine | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist;
opioid analgesic |
| 7,7-dimethyl-5,8-eicosadienoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| 2',4'-dihydroxychalcone | [no description available] | medium | 1 | 0 | | |
| obtusaquinone | [no description available] | medium | 1 | 0 | | |
| 22,23-dihydroavermectin b(1)a | [no description available] | medium | 1 | 0 | macrocyclic lactone;
spiroketal | |
| avermectin b(1)a | [no description available] | medium | 1 | 0 | avermectin | |
| brazilein | [no description available] | medium | 1 | 0 | | |
| Garcinolic acid | [no description available] | medium | 1 | 0 | pyranoxanthones | |
| proflavine hemisulfate | [no description available] | medium | 1 | 0 | | |
| gambogic acid | [no description available] | medium | 1 | 0 | pyranoxanthones | metabolite |
| candicidin | [no description available] | medium | 1 | 0 | macrolide antibiotic;
polyene antibiotic | antifungal drug;
bacterial metabolite |
| triptohypol C | [no description available] | medium | 1 | 0 | benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid | apoptosis inducer;
plant metabolite |
| Dihydrotanshinone I | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
| gedunin | [no description available] | medium | 1 | 0 | acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid | antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite |
| erythrosine | [no description available] | medium | 1 | 0 | | |
| tannins | [no description available] | medium | 1 | 0 | tannin | |
| cedrelone | [no description available] | medium | 1 | 0 | limonoid | |
| tanshinone ii a sodium sulfonate | [no description available] | medium | 1 | 0 | | |
| (E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene | [no description available] | medium | 1 | 0 | organobromine compound;
polyphenol | fluorescent dye |
| 6-o-palmitoylascorbic acid | [no description available] | medium | 1 | 0 | fatty acid ester | |
| citrinin | [no description available] | medium | 1 | 0 | | |
| rolitetracycline | [no description available] | medium | 1 | 0 | | |
| hematein | [no description available] | medium | 1 | 0 | | |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | chromones;
morpholines;
organochlorine compound | autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector |
| gallocatechol | [no description available] | medium | 1 | 0 | catechin;
flavan-3,3',4',5,5',7-hexol | antioxidant;
food component;
plant metabolite |
| strictinin | [no description available] | medium | 1 | 0 | | |
| ku 55933 | [no description available] | medium | 1 | 0 | | |
| pd 166285 | [no description available] | medium | 1 | 0 | | |
| mk-1775 | [no description available] | medium | 1 | 0 | piperazines | |
| cp 466722 | [no description available] | medium | 1 | 0 | quinazolines | |
| dinaciclib | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | |
| THZ531 | [no description available] | medium | 1 | 0 | aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| dihydroxyphenylalanine | [no description available] | medium | 92 | 0 | hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative | human metabolite |
| capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| benserazide | [no description available] | medium | 1 | 0 | carbohydrazide;
catechols;
primary alcohol;
primary amino compound | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| adenine | [no description available] | medium | 2 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| sirolimus | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| 3-methyladenine | [no description available] | medium | 1 | 0 | | |
| bardoxolone methyl | [no description available] | medium | 1 | 0 | cyclohexenones | |
| beta-escin | [no description available] | medium | 1 | 0 | | |
| furostanol i | [no description available] | medium | 1 | 0 | beta-D-glucoside;
cyclic hemiketal;
pentacyclic triterpenoid;
steroid saponin;
trisaccharide derivative | metabolite |
| diosgenin | [no description available] | medium | 1 | 0 | 3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal | antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite |
| 3,4-dihydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | catechols;
dihydroxyphenylacetic acid | human metabolite |
| yohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
| oxidopamine | [no description available] | medium | 11 | 0 | benzenetriol;
catecholamine;
primary amino compound | drug metabolite;
human metabolite;
neurotoxin |
| gbr 12935 | [no description available] | medium | 1 | 0 | ether;
N-alkylpiperazine;
tertiary amino compound | dopamine uptake inhibitor |
| dsp 4 | [no description available] | medium | 4 | 0 | | |
| 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 3 | 0 | methylpyridines;
phenylpyridine;
tetrahydropyridine | neurotoxin |
| 6-hydroxydopa quinone | [no description available] | medium | 5 | 0 | | |
| tyrosine | [no description available] | medium | 4 | 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 |
| ropinirole | [no description available] | medium | 1 | 0 | indolones;
tertiary amine | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist |
| quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor;
human xenobiotic metabolite;
mouse metabolite |
| triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
| isoproterenol | [no description available] | medium | 2 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| dihydroalprenolol | [no description available] | medium | 3 | 0 | | |
| sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
| 1,10-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| potassium cyanide | [no description available] | medium | 1 | 0 | cyanide salt;
one-carbon compound;
potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin |
| azides | [no description available] | medium | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| 1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
| desipramine | [no description available] | medium | 3 | 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 |
| clonidine | [no description available] | medium | 1 | 0 | clonidine;
imidazoline | |
| naloxone | [no description available] | medium | 2 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| morphine | [no description available] | medium | 3 | 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 |
| atropine | [no description available] | medium | 2 | 0 | | |
| phenoxybenzamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| flupenthixol | [no description available] | medium | 1 | 0 | thioxanthenes | |
| 5,7-dihydroxytryptamine | [no description available] | medium | 1 | 0 | | |
| desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| kaolinite | [no description available] | medium | 1 | 0 | aluminosilicate mineral;
mixture | antidiarrhoeal drug;
excipient |
| apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
| nordefrin | [no description available] | medium | 1 | 0 | catecholamine | |
| methyldopa | [no description available] | medium | 2 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent |
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
| domoic acid | [no description available] | medium | 1 | 0 | L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid | algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin |
| beta-alanine | [no description available] | medium | 2 | 0 | amino acid zwitterion;
beta-amino acid | agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter |
| histidine | [no description available] | medium | 1 | 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 |
| 4-methylcatechol | [no description available] | medium | 1 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
| ascorbic acid | [no description available] | medium | 2 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| 6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 5 | 0 | quinoxaline derivative | |
| methylazoxymethanol acetate | [no description available] | medium | 1 | 0 | azoxy compound | |
| metoclopramide | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
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 |
| methylazoxymethanol | [no description available] | medium | 1 | 0 | azoxy compound | |
| g(m1) ganglioside | [no description available] | medium | 3 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine;
sialotetraosylceramide | |
| 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 |
| carbidopa | [no description available] | medium | 4 | 0 | | |
| pargyline | [no description available] | medium | 2 | 0 | aromatic amine | |
| sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite;
mouse metabolite |
| liga 20 | [no description available] | medium | 1 | 0 | | |
| glycine | [no description available] | medium | 1 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
| 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 |
| pqq cofactor | [no description available] | medium | 4 | 0 | orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid | anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role) |
| carbostyril | [no description available] | medium | 4 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
| thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
| nomifensine | [no description available] | medium | 1 | 0 | isoquinolines | dopamine uptake inhibitor |
| benzylamine | [no description available] | medium | 2 | 0 | aralkylamine;
primary amine | allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite |
| 2-nitrobenzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes;
C-nitro compound | |
| spermidine | [no description available] | medium | 1 | 0 | polyazaalkane;
triamine | autophagy inducer;
fundamental metabolite;
geroprotector |
| phenethylamine | [no description available] | medium | 1 | 0 | alkaloid;
aralkylamine;
phenylethylamine | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| hydroxyl radical | [no description available] | medium | 2 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
| dopaquinone | [no description available] | medium | 1 | 0 | 1,2-benzoquinones;
amino acid zwitterion;
L-phenylalanine derivative | human metabolite;
mouse metabolite |
| 4-dimethylaminobenzylamine | [no description available] | medium | 1 | 0 | | |
| putrescine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | antioxidant;
fundamental metabolite |
| verapamil | [no description available] | medium | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| hydrazine | [no description available] | medium | 1 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| kynuramine | [no description available] | medium | 1 | 0 | kynurenamines;
primary amino compound | metabolite |
| 2,5-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite |
| 2,3-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite;
plant metabolite |
| 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 |
| fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoacid | |
| pilocarpine | [no description available] | medium | 2 | 0 | pilocarpine | antiglaucoma drug |
| 5-hydroxytryptophan | [no description available] | medium | 1 | 0 | hydroxytryptophan | human metabolite;
neurotransmitter |
| quinoxalines | [no description available] | medium | 4 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
| ibotenic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
| deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
| 2-amino-5-phosphonovalerate | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
| dizocilpine maleate | [no description available] | medium | 1 | 0 | maleate salt;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist |
| n-methylaspartate | [no description available] | medium | 1 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
| 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 |
| reserpine | [no description available] | medium | 1 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
| dopachrome | [no description available] | medium | 1 | 0 | orthoquinones | |
| acetaminophen | [no description available] | medium | 1 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| 3-methoxytyrosine | [no description available] | medium | 1 | 0 | tyrosine derivative | |
| guanethidine | [no description available] | medium | 1 | 0 | azocanes;
guanidines | adrenergic antagonist;
antihypertensive agent;
sympatholytic agent |
| colchicine | [no description available] | medium | 1 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| 3-chloroalanine | [no description available] | low | 0 | 0 | chloroalanine;
non-proteinogenic alpha-amino acid;
organochlorine compound | |
| phosphoserine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
O-phosphoamino acid;
serine derivative | human metabolite |
| 2-amino-3-ketobutyrate | [no description available] | low | 0 | 0 | 3-oxo monocarboxylic acid;
non-proteinogenic alpha-amino acid | |
| 2,3-diaminopropionic acid | [no description available] | low | 0 | 0 | alanine derivative;
amino acid zwitterion;
beta-amino acid;
diamino acid;
non-proteinogenic alpha-amino acid | Escherichia coli metabolite |
| 2-aminoadipic acid | [no description available] | low | 0 | 0 | amino dicarboxylic acid;
dicarboxylic fatty acid;
non-proteinogenic alpha-amino acid | Caenorhabditis elegans metabolite;
mammalian metabolite |
| 2,4-diaminobutyric acid | [no description available] | low | 0 | 0 | diamino acid;
gamma-amino acid;
non-proteinogenic alpha-amino acid | |
| 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 |
| kynurenine | [no description available] | low | 0 | 0 | aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline | human metabolite |
| thyroxine | [no description available] | low | 0 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine;
non-proteinogenic alpha-amino acid;
tyrosine derivative | mitogen |
| cycloleucine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
| homarine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| 2-amino-3-phosphonopropionic acid | [no description available] | low | 0 | 0 | alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids | human metabolite;
metabotropic glutamate receptor antagonist |
| 2-phenylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | human metabolite |
| p-fluorophenylalanine | [no description available] | low | 0 | 0 | fluoroamino acid;
monofluorobenzenes;
non-proteinogenic alpha-amino acid;
phenylalanine derivative | |
| penicillamine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
thiol | |
| penicillamine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
| iminodiacetic acid | [no description available] | low | 0 | 0 | amino dicarboxylic acid;
glycine derivative;
non-proteinogenic alpha-amino acid | chelator |
| 2-fluorophenylalanine | [no description available] | low | 0 | 0 | monofluorobenzenes;
non-proteinogenic alpha-amino acid;
phenylalanine derivative | |
| 5-fluorotryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
organofluorine compound;
tryptophan derivative | |
| thiazolidine-4-carboxylic acid | [no description available] | low | 0 | 0 | alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid | antidote;
antioxidant;
hepatoprotective agent |
| 3-cyanoalanine | [no description available] | low | 0 | 0 | alanine derivative;
aliphatic nitrile;
non-proteinogenic alpha-amino acid | |
| methionine sulfoximine | [no description available] | low | 0 | 0 | methionine derivative;
non-proteinogenic alpha-amino acid;
sulfoximide | |
| buthionine sulfoximine | [no description available] | low | 0 | 0 | diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer |
| cysteic acid | [no description available] | low | 0 | 0 | alanine derivative;
amino sulfonic acid;
carboxyalkanesulfonic acid;
cysteine derivative;
non-proteinogenic alpha-amino acid | animal metabolite |
| quisqualic acid | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| cilazaprilat | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| 3-hydroxynorvaline | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
non-proteinogenic amino acid derivative | |
| sinefungin | [no description available] | low | 0 | 0 | adenosines;
non-proteinogenic alpha-amino acid | antifungal agent;
antimicrobial agent |
| n-phenylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | allergen |
| selfotel | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| 2-(methylamino)isobutyric acid | [no description available] | low | 0 | 0 | alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound | human urinary metabolite |
| 3-fluorotyrosine | [no description available] | low | 0 | 0 | fluoroamino acid;
fluorophenol;
non-proteinogenic alpha-amino acid;
tyrosine derivative | |
| triazolealanine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
triazoles | |
| 5-methyltryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
tryptophan derivative | |
| 4-methyleneglutamic acid | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| 1-methyltryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
tryptophan derivative | antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor |
| alpha-aminopimelic acid | [no description available] | low | 0 | 0 | amino dicarboxylic acid;
non-proteinogenic alpha-amino acid | bacterial metabolite |
| lanthionine | [no description available] | low | 0 | 0 | alanine derivative;
non-proteinogenic alpha-amino acid;
organic sulfide | bacterial metabolite |
| dityrosine | [no description available] | low | 0 | 0 | biphenyls;
non-proteinogenic alpha-amino acid;
tyrosine derivative | biomarker |
| selenomethylselenocysteine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
selenocysteines | antineoplastic agent;
human metabolite |
| dehydroalanine | [no description available] | low | 0 | 0 | 2,3-dehydroamino acid;
alpha,beta-unsaturated monocarboxylic acid;
amino acid zwitterion;
enamine;
non-proteinogenic alpha-amino acid | alkylating agent;
human metabolite;
mouse metabolite |
| (tetrazol-5-yl)glycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| delta-n-hydroxyornithine | [no description available] | low | 0 | 0 | amino acid zwitterion;
hydroxylamines;
L-ornithine derivative;
non-proteinogenic alpha-amino acid | |
| melagatran | [no description available] | low | 0 | 0 | azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor |
| 5',5',5'-trifluoroleucine | [no description available] | low | 0 | 0 | leucine derivative;
non-proteinogenic alpha-amino acid;
organofluorine compound | |
| azaleucine | [no description available] | low | 0 | 0 | alanine derivative;
leucine derivative;
non-proteinogenic alpha-amino acid;
tertiary amino compound | |
| 2-amino-3,3-dimethylbutanoic acid | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | metabolite |
| cucumopine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| cucurbitine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| temocaprilat | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| alpha-methyl-4-carboxyphenylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | metabotropic glutamate receptor antagonist |
| serine ethanolamine phosphate | [no description available] | low | 0 | 0 | amino acid zwitterion;
non-proteinogenic alpha-amino acid;
O-phosphoamino acid;
phosphoethanolamine;
serine derivative | |
| indicaxanthin | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | |
| thermozymocidin | [no description available] | low | 0 | 0 | alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid | antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent |
| argpyrimidine | [no description available] | low | 0 | 0 | hydroxypyrimidine;
L-arginine derivative;
non-proteinogenic alpha-amino acid | epitope |
| brasilicardin a | [no description available] | low | 0 | 0 | benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent |
| 4-formylaminooxyvinylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | metabolite |