| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| octyl 2-cyanoacrylate | [no description available] | medium | 14 | 3 | | |
| acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| iohexol | [no description available] | medium | 4 | 0 | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| iopamidol | [no description available] | medium | 8 | 0 | benzenedicarboxamide;
organoiodine compound;
pentol | environmental contaminant;
radioopaque medium;
xenobiotic |
| tantalum | [no description available] | medium | 8 | 0 | vanadium group element atom | |
| gemcitabine | [no description available] | medium | 3 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
| osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
coumarins | metabolite |
| sulfolane | [no description available] | medium | 1 | 0 | sulfone;
tetrahydrothiophenes | polar aprotic solvent |
| titanium | [no description available] | medium | 10 | 0 | titanium group element atom | |
| ethamolin | [no description available] | medium | 15 | 6 | long-chain fatty acid | |
| ethyl citrate | [no description available] | medium | 1 | 0 | carbonyl compound | |
| thymic factor, circulating | [no description available] | medium | 2 | 0 | | |
| framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen;
antibacterial drug;
Escherichia coli metabolite |
| ethyl oleate | [no description available] | medium | 1 | 0 | long-chain fatty acid ethyl ester | acaricide;
plant metabolite |
| dimethyl sulfoxide | [no description available] | medium | 39 | 3 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| docetaxel anhydrous | [no description available] | medium | 3 | 0 | secondary alpha-hydroxy ketone;
tetracyclic diterpenoid | antimalarial;
antineoplastic agent;
photosensitizing agent |
| chitosan | [no description available] | medium | 19 | 0 | | |
| acyclovir | [no description available] | medium | 5 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| polidocanol | [no description available] | medium | 13 | 1 | hydroxypolyether | hepatotoxic agent;
nonionic surfactant;
sclerotherapy agent |
| yttrium radioisotopes | [no description available] | medium | 1 | 0 | | |
| thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| 1,1',3,3,3',3'-hexamethylindotricarbocyanine | [no description available] | medium | 1 | 0 | | |
| carbocyanines | [no description available] | medium | 3 | 0 | cyanine dye;
organic iodide salt | fluorochrome |
| paclitaxel | [no description available] | medium | 6 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| 10-hydroxycamptothecin | [no description available] | medium | 2 | 0 | pyranoindolizinoquinoline | |
| camptothecin | [no description available] | medium | 2 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| adenosine | [no description available] | medium | 3 | 1 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| platinum | [no description available] | medium | 2 | 0 | elemental platinum;
nickel group element atom;
platinum group metal atom | |
| diphenhydramine | [no description available] | medium | 1 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
| methylmethacrylate | [no description available] | medium | 4 | 0 | enoate ester;
methyl ester | allergen;
polymerisation monomer |
| terlipressin | [no description available] | medium | 2 | 0 | polypeptide | |
| metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| diatrizoate meglumine | [no description available] | medium | 1 | 0 | monocarboxylic acid anion | radioopaque medium |
| warfarin | [no description available] | medium | 5 | 1 | benzenes;
hydroxycoumarin;
methyl ketone | |
| coumarin 6 | [no description available] | medium | 3 | 0 | 7-aminocoumarins | fluorochrome |
| thiazoles | [no description available] | medium | 6 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| thymopentin | [no description available] | medium | 2 | 0 | oligopeptide | |
| sodium tetradecyl sulfate | [no description available] | medium | 3 | 1 | | |
| epirubicin | [no description available] | medium | 6 | 0 | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| propofol | [no description available] | medium | 2 | 1 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| vancomycin | [no description available] | medium | 2 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| bilirubin | [no description available] | medium | 3 | 1 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |
| lactic acid | [no description available] | medium | 11 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| puerarin | [no description available] | medium | 1 | 0 | C-glycosyl compound;
isoflavonoid | |
| fluorouracil | [no description available] | medium | 10 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| daunorubicin | [no description available] | medium | 5 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| perfluorodecalin | [no description available] | medium | 2 | 0 | fluorocarbon | blood substitute;
solvent |
| losartan potassium | [no description available] | medium | 2 | 0 | | |
| propranolol | [no description available] | medium | 2 | 1 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| bucrylate | [no description available] | medium | 13 | 0 | | |
| methyl 2-cyanoacrylate | [no description available] | medium | 3 | 0 | | |
| iridium | [no description available] | medium | 1 | 0 | cobalt group element atom;
platinum group metal atom | |
| durapatite | [no description available] | medium | 2 | 0 | | |
| transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
| tungsten | [no description available] | medium | 3 | 0 | chromium group element atom | micronutrient |
| 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | [no description available] | medium | 1 | 0 | BODIPY compound | |
| 4-nitrocatechol sulfate | [no description available] | medium | 1 | 0 | 4-nitrophenols;
aryl sulfate | chromogenic compound |
| fibrin | [no description available] | medium | 4 | 0 | peptide | |
| vasoactive intestinal peptide | [no description available] | medium | 1 | 0 | | |
| oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol;
catecholamine;
primary amino compound | drug metabolite;
human metabolite;
neurotoxin |
| resazurin | [no description available] | medium | 1 | 0 | phenoxazine | |
| xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
| oligonucleotides | [no description available] | medium | 4 | 0 | | |
| 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 |
| d-alpha tocopherol | [no description available] | medium | 2 | 1 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
| tocophersolan | [no description available] | medium | 1 | 0 | tocol | |
| 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 |
| lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 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 |
| hypocrellin b | [no description available] | medium | 1 | 0 | | |
| perylene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene;
perylenes | |
| itraconazole | [no description available] | medium | 2 | 0 | aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor |
| glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
| nile red | [no description available] | medium | 1 | 0 | aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound | fluorochrome;
histological dye |
| ro13-9904 | [no description available] | medium | 1 | 0 | | |
| tacrine | [no description available] | medium | 2 | 0 | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| ethyl 2-cyanoacrylate | [no description available] | medium | 15 | 0 | | |
| sumatriptan | [no description available] | medium | 1 | 0 | sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent |
| rifampin | [no description available] | medium | 2 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| moxifloxacin | [no description available] | medium | 2 | 0 | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug |
| imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| lithium | [no description available] | medium | 1 | 0 | alkali metal atom | |
| poloxalene | [no description available] | medium | 1 | 0 | epoxide | |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| pilocarpine | [no description available] | medium | 2 | 0 | pilocarpine | antiglaucoma drug |
| methotrexate | [no description available] | medium | 3 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
| paeonol | [no description available] | medium | 2 | 0 | methoxybenzenes;
phenols | metabolite |
| norcantharidin | [no description available] | medium | 1 | 0 | furofuran | |
| deoxycytidine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| etoposide | [no description available] | medium | 2 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| fluorescein-5-isothiocyanate | [no description available] | medium | 5 | 0 | fluorescein isothiocyanate | |
| rhodamine b | [no description available] | medium | 3 | 0 | organic chloride salt;
xanthene dye | fluorescent probe;
fluorochrome;
histological dye |
| 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 |
| rhodamine 123 | [no description available] | medium | 1 | 0 | organic cation;
xanthene dye | fluorochrome |
| allicin | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
sulfoxide | antibacterial agent |
| isopropyl myristate | [no description available] | medium | 1 | 0 | fatty acid ester | |
| glycerol | [no description available] | medium | 1 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| iodixanol | [no description available] | medium | 1 | 0 | organoiodine compound | radioopaque medium |
| oxadiazoles | [no description available] | medium | 1 | 0 | | |
| oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| cerium | [no description available] | medium | 1 | 0 | f-block element atom;
lanthanoid atom | |
| ceric ammonium nitrate | [no description available] | medium | 1 | 0 | | |
| nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
| iomeprol | [no description available] | medium | 2 | 0 | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| albendazole | [no description available] | medium | 2 | 0 | aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator |
| indomethacin | [no description available] | medium | 4 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| acridines | [no description available] | medium | 1 | 0 | acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene | genotoxin |
| curcumin | [no description available] | medium | 5 | 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 |
| angiotensin ii | [no description available] | medium | 1 | 0 | amino acid zwitterion;
angiotensin II | human metabolite |
| 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 |
| 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 |
| corticotropin-like intermediate lobe peptide | [no description available] | medium | 1 | 0 | | |
| scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
| rivastigmine | [no description available] | medium | 2 | 0 | carbamate ester;
tertiary amino compound | cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent |
| cytochalasin b | [no description available] | medium | 2 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| acid phosphatase | [no description available] | medium | 1 | 0 | | |
| sucrose | [no description available] | medium | 2 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| mtt formazan | [no description available] | medium | 1 | 0 | | |
| formazans | [no description available] | medium | 1 | 0 | | |
| stearates | [no description available] | medium | 3 | 0 | | |
| fluorexon | [no description available] | medium | 2 | 0 | xanthene dye | fluorochrome |
| cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion | antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist |
| erythrosine | [no description available] | medium | 4 | 0 | | |
| 1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
| amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| technetium | [no description available] | medium | 2 | 0 | manganese group element atom | |
| zidovudine | [no description available] | medium | 4 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| calcium sulfate | [no description available] | medium | 2 | 0 | calcium salt;
inorganic calcium salt | |
| mitomycin | [no description available] | medium | 5 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| betadex | [no description available] | medium | 2 | 0 | cyclodextrin | |
| drospirenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
steroid lactone | aldosterone antagonist;
contraceptive drug;
progestin |
| ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| thiazolyl blue | [no description available] | medium | 2 | 0 | organic bromide salt | colorimetric reagent;
dye |
| hoe 33342 | [no description available] | medium | 1 | 0 | | |
| thioflavin t | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome;
geroprotector;
histological dye |
| enkephalin-leu, ala(2)-arg(6)- | [no description available] | medium | 6 | 0 | | |
| enkephalin, leucine-2-alanine | [no description available] | medium | 6 | 0 | | |
| mitoxantrone | [no description available] | medium | 6 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| aclarubicin | [no description available] | medium | 3 | 0 | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| sodium morrhuate | [no description available] | medium | 2 | 0 | | |
| acetylglucosamine | [no description available] | medium | 1 | 0 | N-acetyl-D-glucosamine | epitope |
| lidocaine | [no description available] | medium | 2 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| amobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
| hydrogen sulfite | [no description available] | medium | 1 | 0 | sulfur oxoanion | human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| sulfites | [no description available] | medium | 1 | 0 | divalent inorganic anion;
sulfur oxide;
sulfur oxoanion | |
| glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent;
disinfectant;
fixative |
| formaldehyde | [no description available] | medium | 6 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
| cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
| nitinol | [no description available] | medium | 2 | 0 | | |
| stavudine | [no description available] | medium | 2 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| acetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
| silicon | [no description available] | medium | 1 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
| busulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| ethylene oxide | [no description available] | medium | 2 | 0 | gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent | allergen;
mouse metabolite;
mutagen |
| acebutolol | [no description available] | medium | 1 | 0 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
| trehalose | [no description available] | medium | 1 | 0 | trehalose | Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| cidofovir anhydrous | [no description available] | medium | 2 | 0 | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent |
| cytosine | [no description available] | medium | 2 | 0 | aminopyrimidine;
pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| organophosphonates | [no description available] | medium | 2 | 0 | divalent inorganic anion;
phosphite ion | |
| lamivudine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| pituitrin | [no description available] | medium | 2 | 0 | | |
| zidovudine triphosphate | [no description available] | medium | 1 | 0 | | |
| sodium carbonate | [no description available] | medium | 1 | 0 | carbonate salt;
organic sodium salt | |
| ciprofloxacin | [no description available] | medium | 1 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
| citric acid, anhydrous | [no description available] | medium | 1 | 0 | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite |
| lactose | [no description available] | medium | 1 | 0 | lactose | |
| carbonates | [no description available] | medium | 1 | 0 | carbon oxoanion | |
| hydrochloric acid | [no description available] | medium | 2 | 0 | chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride | mouse metabolite |
| tegafur | [no description available] | medium | 2 | 0 | organohalogen compound;
pyrimidines | |
| sulfur | [no description available] | medium | 2 | 0 | chalcogen;
nonmetal atom | macronutrient |
| saquinavir | [no description available] | medium | 2 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
| delavirdine | [no description available] | medium | 1 | 0 | aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| dithionitrobenzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid;
organic disulfide | indicator |
| diallyl trisulfide | [no description available] | medium | 1 | 0 | organic trisulfide | anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent |
| delphinidin | [no description available] | medium | 1 | 0 | anthocyanidin chloride | |
| mannitol | [no description available] | medium | 2 | 0 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
| azathioprine | [no description available] | medium | 1 | 0 | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug |
| ethyl iodostearate | [no description available] | medium | 1 | 0 | | |
| xenon radioisotopes | [no description available] | medium | 1 | 0 | | |
| oxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| indium oxine | [no description available] | medium | 1 | 0 | | |
| promethazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| lypressin | [no description available] | medium | 1 | 0 | cyclic peptide | |
| gentamicin | [no description available] | medium | 3 | 0 | | |
| diatrizoic acid | [no description available] | medium | 4 | 0 | acetamides;
benzoic acids;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| cyclosporine | [no description available] | medium | 1 | 0 | | |
| ethylnitrosourea | [no description available] | medium | 1 | 0 | N-nitrosoureas | alkylating agent;
carcinogenic agent;
genotoxin;
mutagen |
| 1-(2-chloroethyl)-3-(1-oxyl-2,2,6,6-tetramethylpiperidinyl)-1-nitrosourea | [no description available] | medium | 1 | 0 | | |
| phenyl acetate | [no description available] | medium | 1 | 0 | benzenes;
phenyl acetates | |
| fluorescein | [no description available] | medium | 1 | 0 | 2-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye | fluorescent dye;
radioopaque medium |
| phosphorus radioisotopes | [no description available] | medium | 1 | 0 | | |
| loperamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative;
organic disulfide | Escherichia coli metabolite;
mouse metabolite |
| tubocurarine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid | drug allergen;
muscle relaxant;
nicotinic antagonist |
| physostigmine | [no description available] | medium | 1 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| 1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
| tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| 1,2-dielaidoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
| theophylline | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
| aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
| orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite;
metabolite;
mouse metabolite |
| valine | [no description available] | medium | 2 | 0 | L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| valacyclovir | [no description available] | medium | 2 | 0 | L-valyl ester | antiviral drug |
| probenecid | [no description available] | medium | 1 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| colchicine | [no description available] | medium | 1 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| shu 508 | [no description available] | medium | 1 | 0 | | |
| stearic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite |
| all-bond 2 | [no description available] | medium | 1 | 0 | | |
| naphthalene | [no description available] | medium | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| resorcinol | [no description available] | medium | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
| procion brilliant red m-2bs | [no description available] | medium | 1 | 0 | | |
| europium | [no description available] | medium | 1 | 0 | f-block element atom;
lanthanoid atom | |
| metoclopramide | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic |
| aluminum tetrasulfophthalocyanine | [no description available] | medium | 1 | 0 | | |
| alpha-chymotrypsin | [no description available] | medium | 1 | 0 | | |
| cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| gadolinium dtpa | [no description available] | medium | 1 | 0 | gadolinium coordination entity | MRI contrast agent |
| sulfur dioxide | [no description available] | medium | 2 | 1 | sulfur oxide | Escherichia coli metabolite;
food bleaching agent;
refrigerant |
| npg-gma | [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 |
| barium sulfate | [no description available] | medium | 1 | 0 | barium salt;
inorganic barium salt;
metal sulfate | radioopaque medium |
| amikacin | [no description available] | medium | 1 | 0 | alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide | antibacterial drug;
antimicrobial agent;
nephrotoxin |
| methanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
| 1-octanol | [no description available] | medium | 1 | 0 | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite |
| thromboxane b2 | [no description available] | medium | 1 | 0 | thromboxanes B | human metabolite;
mouse metabolite |
| fibrinogen | [no description available] | medium | 1 | 0 | iditol | fungal metabolite |
| tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin |
| methylene blue | [no description available] | medium | 1 | 0 | organic chloride salt | acid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer |
| ovalbumin | [no description available] | medium | 1 | 0 | | |
| ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
| sepharose | [no description available] | medium | 1 | 0 | | |
| cellulose | [no description available] | medium | 1 | 0 | glycoside | |
| tranexamic acid | [no description available] | medium | 1 | 0 | amino acid | |
| isoprene | [no description available] | medium | 1 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
| propiconazole | [no description available] | medium | 15 | 0 | conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| phenylephrine hydrochloride | [no description available] | medium | 3 | 1 | hydrochloride | |
| salicylic acid | [no description available] | medium | 12 | 1 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| jaw | [no description available] | medium | 2 | 0 | indolecarboxamide | |
| eye | [no description available] | medium | 6 | 0 | | |
| khellin | [no description available] | medium | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| inositol 3-phosphate | [no description available] | medium | 2 | 0 | | |
| fusarium | [no description available] | medium | 1 | 0 | | |
| 2-propanol | [no description available] | medium | 2 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| glyphosate | [no description available] | medium | 1 | 0 | glycine derivative;
phosphonic acid | agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide |
| 3-cyanopyridine | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile | geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| anastrozole | [no description available] | low | 0 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| bicalutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | |
| verapamil | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | low | 0 | 0 | hydrazone;
monochlorobenzenes;
nitrile | antibacterial agent;
geroprotector;
ionophore |
| cimaterol | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| cimetidine | [no description available] | low | 0 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| citalopram | [no description available] | low | 0 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| cypermethrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound | agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| dichlobanil | [no description available] | low | 0 | 0 | dichlorobenzene;
nitrile | agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | low | 0 | 0 | aromatic ether;
hydrazone;
nitrile;
organofluorine compound | ATP synthase inhibitor;
geroprotector;
ionophore |
| fipronil | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide | |
| letrozole | [no description available] | low | 0 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| milrinone | [no description available] | low | 0 | 0 | bipyridines;
nitrile;
pyridone | cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| nilvadipine | [no description available] | low | 0 | 0 | dihydropyridine;
isopropyl ester;
methyl ester;
nitrile | |
| periciazine | [no description available] | low | 0 | 0 | hydroxypiperidine;
nitrile;
phenothiazines | adrenergic antagonist;
first generation antipsychotic;
sedative |
| zaleplon | [no description available] | low | 0 | 0 | nitrile;
pyrazolopyrimidine | anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative |
| systhane | [no description available] | low | 0 | 0 | monochlorobenzenes;
nitrile;
triazoles | |
| benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| chloroacetonitrile | [no description available] | low | 0 | 0 | nitrile | |
| benzyl cyanide | [no description available] | low | 0 | 0 | benzenes;
nitrile | animal metabolite;
pheromone |
| pirinitramide | [no description available] | low | 0 | 0 | nitrile | |
| cyanamide | [no description available] | low | 0 | 0 | nitrile;
one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
| dicyandiamido | [no description available] | low | 0 | 0 | guanidines;
nitrile | curing agent;
explosive;
fertilizer;
flame retardant;
nitrification inhibitor |
| ricinine | [no description available] | low | 0 | 0 | nitrile;
pyridine alkaloid;
pyridone | |
| toyocamycin | [no description available] | low | 0 | 0 | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside | antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite |
| 2-cyanophenol | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 1,3-dicyanobenzene | [no description available] | low | 0 | 0 | nitrile | |
| diphenoxylate | [no description available] | low | 0 | 0 | ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine | antidiarrhoeal drug |
| ioxynil | [no description available] | low | 0 | 0 | iodophenol;
nitrile | environmental contaminant;
herbicide;
xenobiotic |
| cyanophenphos | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| difenoxin | [no description available] | low | 0 | 0 | nitrile;
piperidinemonocarboxylic acid;
tertiary amine | antidiarrhoeal drug |
| decamethrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide |
| closantel | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols | |
| fluvalinate | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| bezitramide | [no description available] | low | 0 | 0 | nitrile | |
| d 888 | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
tertiary amino compound | anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent |
| cyanopyrazine | [no description available] | low | 0 | 0 | nitrile;
pyrazines | |
| tetracyanoquinodimethane | [no description available] | low | 0 | 0 | alicyclic compound;
nitrile;
quinodimethane | |
| 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile | [no description available] | low | 0 | 0 | monochlorobenzenes;
nitrile;
triazoles | |
| fludioxonil | [no description available] | low | 0 | 0 | benzodioxoles;
nitrile;
organofluorine compound;
pyrroles | androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist |
| fenpiclonil | [no description available] | low | 0 | 0 | dichlorobenzene;
nitrile;
pyrroles | antifungal agrochemical |
| chlorfenapyr | [no description available] | low | 0 | 0 | hemiaminal ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles | proacaricide;
proinsecticide |
| 2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile | [no description available] | low | 0 | 0 | dimethoxybenzene;
nitrile;
secondary amino compound | drug metabolite;
marine xenobiotic metabolite |
| 2,3-bis(4-hydroxyphenyl)-propionitrile | [no description available] | low | 0 | 0 | nitrile;
phenols | estrogen receptor agonist |
| cyfluthrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester insecticide |
| norverapamil | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
polyether;
secondary amino compound | |
| taxiphyllin | [no description available] | low | 0 | 0 | beta-D-glucoside;
nitrile | |
| thiacloprid | [no description available] | low | 0 | 0 | monochloropyridine;
nitrile;
thiazolidines | environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| febuxostat | [no description available] | low | 0 | 0 | 1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
| 3,4-epithiobutanenitrile | [no description available] | low | 0 | 0 | epithionitrile;
nitrile;
thiirane | |
| cyc 682 | [no description available] | low | 0 | 0 | nitrile;
nucleoside analogue;
secondary carboxamide | antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug |
| dhurrin | [no description available] | low | 0 | 0 | beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative;
nitrile | |
| aminopotentidine | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline | H2-receptor antagonist |
| 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile | [no description available] | low | 0 | 0 | monochlorobenzenes;
nitrile;
organobromine compound;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles | acaricide;
antifouling biocide;
insecticide |
| 2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| prizes | [no description available] | low | 0 | 0 | carboxamidine;
monochloropyridine;
nitrile | environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| l 778,123 | [no description available] | low | 0 | 0 | imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor |
| 6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| indole-3-acetonitrile | [no description available] | low | 0 | 0 | indoles;
nitrile | auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite |
| Girgensonine | [no description available] | low | 0 | 0 | nitrile | |
| bms 214662 | [no description available] | low | 0 | 0 | benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| diclazuril | [no description available] | low | 0 | 0 | nitrile | |
| ravuconazole | [no description available] | low | 0 | 0 | 1,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles | antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor |
| mesoxalonitrile | [no description available] | low | 0 | 0 | alpha-ketonitrile;
nitrile | |
| 3-[di(propan-2-yl)phosphorylmethyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| crotononitrile | [no description available] | low | 0 | 0 | nitrile | |
| 2,6-diamino-4-(1-phenylethyl)-4H-thiopyran-3,5-dicarbonitrile | [no description available] | low | 0 | 0 | nitrile;
organosulfur heterocyclic compound | |
| 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| trilostane | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile | abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
| 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile | [no description available] | low | 0 | 0 | nitrile;
organic sulfide;
organosulfur heterocyclic compound;
oxaspiro compound | |
| iFSP1 | [no description available] | low | 0 | 0 | aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes | antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor |
| 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone | [no description available] | low | 0 | 0 | bromophenol;
nitrile;
pyridone | |
| 4-(1H-imidazol-1-ylmethyl)benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile | [no description available] | low | 0 | 0 | monochlorobenzenes;
nitrile;
pyrimidone;
triazoles | |
| 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile | [no description available] | low | 0 | 0 | nitrile | |
| 5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| or 1259 | [no description available] | low | 0 | 0 | hydrazone;
nitrile;
pyridazinone | anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent |
| azoxystrobin | [no description available] | low | 0 | 0 | aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic |
| fipronil sulfone | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
pyrazoles;
sulfone | marine xenobiotic metabolite |
| 4-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile | [no description available] | low | 0 | 0 | biphenyls;
nitrile | |
| nafadotride | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound | dopaminergic antagonist |
| entacapone | [no description available] | low | 0 | 0 | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| cyhalothrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | nitrile;
pyridines | |
| ag-490 | [no description available] | low | 0 | 0 | catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide | anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor |
| alpha-cyano-4-hydroxycinnamic acid | [no description available] | low | 0 | 0 | monohydroxycinnamic acid;
nitrile;
phenols | MALDI matrix material |
| bosutinib | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| bay 11-7082 | [no description available] | low | 0 | 0 | nitrile;
sulfone | apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor |
| bay 11-7085 | [no description available] | low | 0 | 0 | benzenes;
nitrile;
sulfone | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor |
| su 1498 | [no description available] | low | 0 | 0 | enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide | vascular endothelial growth factor receptor antagonist |
| tyrphostin ag825 | [no description available] | low | 0 | 0 | aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide | epidermal growth factor receptor antagonist |
| alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile | [no description available] | low | 0 | 0 | nitrile | |
| ekb 569 | [no description available] | low | 0 | 0 | aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile | protein kinase inhibitor |
| rilpivirine | [no description available] | low | 0 | 0 | aminopyrimidine;
nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor |
| vilazodone | [no description available] | low | 0 | 0 | 1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile | antidepressant;
serotonergic agonist;
serotonin uptake inhibitor |
| isavuconazole | [no description available] | low | 0 | 0 | 1,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug |
| flonicamid | [no description available] | low | 0 | 0 | nitrile;
organofluorine compound;
pyridinecarboxamide | environmental contaminant;
insecticide;
xenobiotic |
| cyazofamid | [no description available] | low | 0 | 0 | imidazole fungicide;
imidazoles;
nitrile;
organochlorine compound;
sulfamides;
sulfonamide fungicide | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor |
| hki 272 | [no description available] | low | 0 | 0 | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| perampanel | [no description available] | low | 0 | 0 | bipyridines;
nitrile;
pyridone | AMPA receptor antagonist;
anticonvulsant |
| tofacitinib | [no description available] | low | 0 | 0 | N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound | antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | [no description available] | low | 0 | 0 | 1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| ethaboxam | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes | |
| bms 477118 | [no description available] | low | 0 | 0 | adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| alogliptin | [no description available] | low | 0 | 0 | nitrile;
piperidines;
primary amino compound;
pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| cyflumetofen | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
2-methoxyethyl ester;
beta-ketoester;
nitrile | |
| finafloxacin | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound | antibacterial drug;
antimicrobial agent |
| cyantraniliprole | [no description available] | low | 0 | 0 | nitrile;
organobromine compound;
organochlorine compound;
pyrazole insecticide;
pyridines;
secondary carboxamide | ryanodine receptor agonist |
| dactolisib | [no description available] | low | 0 | 0 | imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile) | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ketone;
beta-diketone;
cyclopropanes;
nitrile;
sulfone | agrochemical;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide |
| mdv 3100 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent |
| trelagliptin | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| sulfoxaflor | [no description available] | low | 0 | 0 | nitrile;
organofluorine compound;
pyridines;
sulfoximide | |
| cyenopyrafen | [no description available] | low | 0 | 0 | nitrile;
pivalate ester;
pyrazoles | agrochemical;
proacaricide |
| SL-327 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline | EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent |
| n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | [no description available] | low | 0 | 0 | aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound | anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| incb-018424 | [no description available] | low | 0 | 0 | nitrile;
pyrazoles;
pyrrolopyrimidine | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| glasdegib | [no description available] | low | 0 | 0 | benzimidazoles;
nitrile;
phenylureas;
piperidines | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist |
| baricitinib | [no description available] | low | 0 | 0 | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent |
| monepantel | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide | anthelminthic drug;
nematicide |
| GS-441524 | [no description available] | low | 0 | 0 | aromatic amine;
C-nucleoside;
nitrile;
pyrrolotriazine | anticoronaviral agent;
antiviral agent;
drug metabolite |
| an2728 | [no description available] | low | 0 | 0 | aromatic ether;
benzoxaborole;
nitrile | antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor |
| tak-632 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor |
| alectinib | [no description available] | low | 0 | 0 | aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| delgocitinib | [no description available] | low | 0 | 0 | azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide | anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| lfm a13 | [no description available] | low | 0 | 0 | aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor |
| teriflunomide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide | drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor |
| GS-443902 | [no description available] | low | 0 | 0 | aromatic amine;
C-nucleoside;
nitrile;
organic triphosphate;
pyrrolotriazine | anticoronaviral agent;
antiviral drug;
drug metabolite |
| pf-06463922 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| s 8932 | [no description available] | low | 0 | 0 | aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine | anticoronaviral agent;
antiviral drug;
prodrug |
| AZ3451 | [no description available] | low | 0 | 0 | benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide | anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator |
| 2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | [no description available] | low | 0 | 0 | hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor |
| nirmatrelvir | [no description available] | low | 0 | 0 | azabicyclohexane;
nitrile;
organofluorine compound;
pyrrolidin-2-ones;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| perillic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid | antineoplastic agent;
human metabolite;
mouse metabolite |
| gabaculine | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
gamma-amino acid | |
| guvacine | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | GABA reuptake inhibitor;
plant metabolite |
| methacrylic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
| retinoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
retinoid | human metabolite |
| acrylic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
| shikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| propiolic acid | [no description available] | low | 0 | 0 | acetylenic fatty acid;
alpha,beta-unsaturated monocarboxylic acid;
monounsaturated fatty acid;
short-chain fatty acid;
terminal acetylenic compound | xenobiotic metabolite |
| senecioic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monounsaturated fatty acid;
short-chain fatty acid | plant metabolite |
| 2-chloroacrylic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
chlorocarboxylic acid | metabolite |
| phenylpropiolic acid | [no description available] | low | 0 | 0 | acetylenic compound;
alpha,beta-unsaturated monocarboxylic acid;
benzenes | |
| loganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclopentapyran;
glucoside | plant 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 |
| meropenem | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen |
| sq 27860 | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid | |
| 7-aminocephalosporanic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
amino acid zwitterion | |
| 7-deoxyloganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
monoterpene glycoside | plant metabolite |
| sorbic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
sorbic acid | |
| fusidic acid | [no description available] | low | 0 | 0 | 11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor |
| decaprenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monoterpenoid;
polyunsaturated fatty acid | antifungal agent;
EC 1.14.18.1 (tyrosinase) inhibitor;
melanin synthesis inhibitor;
pheromone;
plant metabolite |
| geranylgeranic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
diterpenoid;
methyl-branched fatty acid;
trienoic fatty acid | |
| maleamic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
dicarboxylic acid monoamide | bacterial xenobiotic metabolite;
Escherichia coli metabolite |
| 4-coumaroylshikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid | |
| phaseic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
apo carotenoid sesquiterpenoid | metabolite |
| 5-o-caffeoylshikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carboxylic ester;
catechols;
cyclohexenecarboxylic acid | plant metabolite |
| acitretin | [no description available] | low | 0 | 0 | acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid | keratolytic drug |
| acrivastine | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
N-alkylpyrrolidine;
olefinic compound;
pyridines | H1-receptor antagonist |
| 10-hydroxy-2-decenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
hydroxy monounsaturated fatty acid;
omega-hydroxy-medium-chain fatty acid;
straight-chain fatty acid | animal metabolite;
geroprotector |
| piperic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles | plant metabolite |
| trans-3-methyl-2-hexenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
monounsaturated fatty acid;
short-chain fatty acid | |
| kalimantacin a | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbamate ester;
fatty acid derivative;
secondary carboxamide | antibacterial agent;
antimicrobial agent;
bacterial metabolite |
| sr 11302 | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes | antineoplastic agent;
AP-1 antagonist |
| pentalenolactone f | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
organic heterotricyclic compound;
sesquiterpene lactone;
spiro-epoxide | bacterial metabolite |
| gamendazole | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
dichlorobenzene;
indazoles;
olefinic compound;
organofluorine compound | antispermatogenic agent;
eukaryotic translation elongation factor 1alpha 1 inhibitor;
Hsp90 inhibitor;
synthetic oral contraceptive |
| ascr#3 | [no description available] | low | 0 | 0 | (omega-1)-hydroxy fatty acid ascaroside;
alpha,beta-unsaturated monocarboxylic acid | Caenorhabditis elegans metabolite;
pheromone |
| arenaemycin e | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
organic heterotricyclic compound;
sesquiterpene lactone;
spiro-epoxide | antimicrobial agent;
bacterial metabolite;
EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor |