Compounds > 5-tolyltriazole
Page last updated: 2024-09-21

5-tolyltriazole

Description

5-tolyltriazole: a corrosion inhibitor and water pollutant [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID8705
CHEMBL ID2148100
CHEBI ID83455
SCHEMBL ID103309
MeSH IDM000601840

Synonyms (64)

Synonym
nsc-122012
6-methyl-1,3-benzotriazole
5-methyl-1,3-benzotriazole
136-85-6
wln: t56 bmnnj g1
nsc122012
5-methylbenzotriazole
AC-16224
6-methyl-1h-benzotriazole
BB 0243855
nsc 122012
einecs 205-265-8
6-methylbenzotriazole
6-methyl-1,2,3-benzotriazole
ccris 6780
5-methyl-1,2,3-benzotriazole
brn 0116658
tolutriazole
1h-benzotriazole, 5-methyl-
5-methyl-1h-benzotriazole, 98%
5-methyl-1h-benzotriazole ,
5-methyl-2h-benzotriazole
AKOS005061650
M0249
AKOS003234056
o9di72tu6u ,
unii-o9di72tu6u
1h-benzotriazole, 6-methyl-
5-tolyltriazole
4-26-00-00144 (beilstein handbook reference)
CHEMBL2148100
chebi:83455 ,
5-methyl-1h-benzo[d][1,2,3]triazole
FT-0620587
SCHEMBL103309
retrocure g (salt/mix)
5-methyl-1h-1,2,3-benzotriazole #
vulkalent tm (salt/mix)
5-methyl-1h-benzo-1,2,3-triazole
dtxcid9018743
NCGC00356952-01
cas-136-85-6
tox21_303925
dtxsid1038743 ,
benzotriazole, 5-methyl-
verzone vt 120m
5-methyl-1h-benzo(d)(1,2,3)triazole
methyl-1h-benzotriazole. 5-
6-tolyltriazole
W-109487
mfcd00005702
5-methyl-1h-benzotriazole, analytical standard
5me-bt
5-me-bt
5mebt
5-me-btr
SY036766
5-methyl-1h-benzotriazole, pract.
AS-12986
Q17493530
H11245
6(or7)-methyl-1h-benzo[d][1,2,3]triazole
CS-0127964
5-methyl-1h-benzo[d][1,2,3]triazole(chunks or pellets)

Roles (2)

RoleDescription
xenobioticA xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
environmental contaminantAny minor or unwanted substance introduced into the environment that can have undesired effects.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
benzotriazoles
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
hypoxia-inducible factor 1 alpha subunitHomo sapiens (human)Potency27.53573.189029.884159.4836AID1224846
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency43.27710.001022.650876.6163AID1224838
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (1)

Assay IDTitleYearJournalArticle
AID687183Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at 1 mM at pH 6.5 after 60 mins by HPLC analysis2012Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (12)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (8.33)29.6817
2010's10 (83.33)24.3611
2020's1 (8.33)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other12 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
imidazole[no description available]medium10imidazole
phenol[no description available]medium10phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
pyridine[no description available]medium10azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
benzotriazole[no description available]high70benzotriazolesenvironmental contaminant;
xenobiotic
1,2,4-triazole[no description available]medium101,2,4-triazole
4,4'-bipyridyl[no description available]medium10bipyridine
4-phenylpyridine[no description available]medium10phenylpyridine
4-phenylpyrimidine[no description available]medium10biaryl;
pyrimidines
triazoles[no description available]medium1201,2,3-triazole
1h-tetrazole[no description available]medium10one-carbon compound;
tetrazole
4(5)-phenylimidazole[no description available]medium10
1-hydroxybenzotriazole[no description available]medium20benzotriazoles
methylparaben[no description available]medium10parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
chlorine[no description available]medium10diatomic chlorine;
gas molecular entity		bleaching agent
ethyl-p-hydroxybenzoate[no description available]medium10ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
triclocarban[no description available]medium20dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
propylparaben[no description available]medium10benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
triclosan[no description available]medium10aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
octane[no description available]low00alkanexenobiotic
2-nitropropane[no description available]low00secondary nitroalkanecarcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic
bupropion[no description available]low00aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
dibenzofuran[no description available]low00dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene		xenobiotic
1-(3-chlorophenyl)piperazine[no description available]low00monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
acetaminophen[no description available]low00acetamides;
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
acetochlor[no description available]low00aromatic amide;
monocarboxylic acid amide;
organochlorine compound		environmental contaminant;
herbicide;
xenobiotic
alachlor[no description available]low00aromatic amide;
monocarboxylic acid amide;
organochlorine compound		environmental contaminant;
herbicide;
xenobiotic
albuterol[no description available]low00phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alprazolam[no description available]low00organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
diatrizoic acid[no description available]low00acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
dan 2163[no description available]low00aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic
amitriptyline[no description available]low00carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
antazoline[no description available]low00aromatic amine;
imidazolines;
tertiary amino compound		cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
antipyrine[no description available]low00pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
atenolol[no description available]low00ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
atrazine[no description available]low00chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
bentazone[no description available]low00benzothiadiazineenvironmental contaminant;
herbicide;
xenobiotic
caffeine[no description available]low00purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
candesartan[no description available]low00benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
carbamazepine[no description available]low00dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
cetirizine[no description available]low00ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chloral hydrate[no description available]low00aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
chlorpyrifos[no description available]low00chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
ciprofloxacin[no description available]low00aminoquinoline;
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
clotrimazole[no description available]low00conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
diazepam[no description available]low001,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazinon[no description available]low00organic thiophosphate;
pyrimidines		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dicamba[no description available]low00dichlorobenzene;
methoxybenzoic acid		agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic
dichlobanil[no description available]low00dichlorobenzene;
nitrile		agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
diclofenac[no description available]low00amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
dimethoate[no description available]low00monocarboxylic acid amide;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
diuron[no description available]low003-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
fenofibrate[no description available]low00aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fluconazole[no description available]low00conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
fluorouracil[no description available]low00nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
furosemide[no description available]low00chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gabapentin[no description available]low00gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
hydrochlorothiazide[no description available]low00benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
ibuprofen[no description available]low00monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
lidocaine[no description available]low00benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
ifosfamide[no description available]low00ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
indomethacin[no description available]low00aromatic 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
iohexol[no description available]low00benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iomeprol[no description available]low00benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iopromide[no description available]low00dicarboxylic acid diamide;
organoiodine compound		environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
avapro[no description available]low00azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ketamine[no description available]low00cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketoprofen[no description available]low00benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
lamotrigine[no description available]low001,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
tetramisole[no description available]low00imidazothiazoleenvironmental contaminant;
xenobiotic
mefenamic acid[no description available]low00aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
metformin[no description available]low00guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methomyl[no description available]low00aliphatic sulfide;
carbamate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic
metoclopramide[no description available]low00benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]low00aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]low00C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
moclobemide[no description available]low00benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
deet[no description available]low00benzamides;
monocarboxylic acid amide		environmental contaminant;
insect repellent;
xenobiotic
1-(3-trifluoromethylphenyl)piperazine[no description available]low00(trifluoromethyl)benzenes;
N-arylpiperazine		environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic
nitroglycerin[no description available]low00nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
norfloxacin[no description available]low00fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
oxazepam[no description available]low001,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxybenzone[no description available]low00hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
pantoprazole[no description available]low00aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pentamidine[no description available]low00aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pioglitazone[no description available]low00aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
primidone[no description available]low00pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
prometone[no description available]low00diamino-1,3,5-triazine;
methoxy-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
prometryne[no description available]low00diamino-1,3,5-triazine;
methylthio-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
propachlor[no description available]low00anilide;
monocarboxylic acid amide;
organochlorine compound		environmental contaminant;
herbicide;
xenobiotic
propazine[no description available]low00chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
propranolol[no description available]low00naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
saccharin[no description available]low001,2-benzisothiazole;
N-sulfonylcarboxamide		environmental contaminant;
sweetening agent;
xenobiotic
sulfadiazine[no description available]low00pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
simazine[no description available]low00chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
sotalol[no description available]low00ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
sulfadimethoxine[no description available]low00aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamethazine[no description available]low00pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethoxazole[no description available]low00isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfapyridine[no description available]low00pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfathiazole[no description available]low001,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
trifluralin[no description available]low00(trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
trimethoprim[no description available]low00aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimipramine[no description available]low00dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
venlafaxine[no description available]low00cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
prednisolone[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
reserpine[no description available]low00alkaloid 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
spironolactone[no description available]low003-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
aminopyrine[no description available]low00pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
barbituric acid[no description available]low00barbituratesallergen;
xenobiotic
bisphenol a[no description available]low00bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
methylprednisolone[no description available]low006-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
pseudoephedrine[no description available]low00phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2-methyl-4-chlorophenoxy gamma-butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic
benzothiazole[no description available]low00benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
3,4-dichloroaniline[no description available]low00dichloroanilineepitope;
xenobiotic
acetophenone[no description available]low00acetophenonesanimal metabolite;
photosensitizing agent;
xenobiotic
phenylhydrazine[no description available]low00phenylhydrazinesxenobiotic
fenuron[no description available]low003-(3,4-substituted-phenyl)-1,1-dimethylureaagrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic
cyanuric acid[no description available]low001,3,5-triazinanes;
1,3,5-triazines;
heteroaryl hydroxy compound		xenobiotic
diglyme[no description available]low00polyetherenvironmental contaminant;
solvent;
xenobiotic
propylene[no description available]low00alkene;
gas molecular entity		refrigerant;
xenobiotic
2-naphthalenesulfonic acid[no description available]low00naphthalenesulfonic acidenvironmental contaminant;
xenobiotic
4-sulfanilic acid[no description available]low00aminobenzenesulfonic acidallergen;
environmental contaminant;
xenobiotic metabolite;
xenobiotic
monuron[no description available]low003-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes		environmental contaminant;
herbicide;
xenobiotic
ephedrine[no description available]low00phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
linuron[no description available]low00dichlorobenzene;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
perfluorooctanoic acid[no description available]low00fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
perfluorodecanoic acid[no description available]low00fluoroalkanoic acidenvironmental contaminant;
xenobiotic
perfluorobutyric acid[no description available]low00fluoroalkanoic acidchromatographic reagent;
environmental contaminant;
xenobiotic
triphenylmethane[no description available]low00triarylmethaneenvironmental contaminant;
xenobiotic
methamphetamine[no description available]low00amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
3-methylquinoline[no description available]low00methylquinolinexenobiotic
terbutryne[no description available]low00diamino-1,3,5-triazine;
methylthio-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
ethambutol[no description available]low00ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
metformin hydrochloride[no description available]low00hydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic
ioxynil[no description available]low00iodophenol;
nitrile		environmental contaminant;
herbicide;
xenobiotic
bromoxynil[no description available]low00dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic
pyrazon[no description available]low00benzenes;
organochlorine compound;
primary amino compound;
pyridazinone		environmental contaminant;
herbicide;
xenobiotic
methiocarb[no description available]low00aryl sulfide;
carbamate ester;
methyl sulfide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
molluscicide;
xenobiotic
lenacil[no description available]low00cyclopentapyrimidineagrochemical;
environmental contaminant;
herbicide;
xenobiotic
fluometuron[no description available]low00(trifluoromethyl)benzenes;
3-(3,4-substituted-phenyl)-1,1-dimethylurea		agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic
1,2-benzisothiazoline-3-one[no description available]low00organic heterobicyclic compound;
organonitrogen heterocyclic compound		disinfectant;
drug allergen;
environmental contaminant;
platelet aggregation inhibitor;
sensitiser;
xenobiotic
asulam[no description available]low00carbamate ester;
primary amino compound;
substituted aniline;
sulfonamide		agrochemical;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
chlorpyrifos-methyl[no description available]low00chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
terbutylazine[no description available]low00chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
1-indanol[no description available]low00aromatic alcohol;
indanes;
secondary alcohol		xenobiotic
desmedipham[no description available]low00carbamate esteragrochemical;
environmental contaminant;
herbicide;
xenobiotic
phenmedipham[no description available]low00carbamate esterenvironmental contaminant;
herbicide;
xenobiotic
chlortoluron[no description available]low00monochlorobenzenes;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
methoxuron[no description available]low003-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes;
monomethoxybenzene		agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
plant growth regulator;
xenobiotic
neohesperidin dihydrochalcone[no description available]low00dihydrochalcones;
disaccharide derivative;
neohesperidoside		environmental contaminant;
plant metabolite;
sweetening agent;
xenobiotic
metribuzin[no description available]low001,2,4-triazines;
cyclic ketone;
organic sulfide		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
cyanazine[no description available]low001,3,5-triazinylamino nitrile;
chloro-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
pirimicarb[no description available]low00aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
butachlor[no description available]low00aromatic amide;
organochlorine compound;
tertiary carboxamide		environmental contaminant;
herbicide;
xenobiotic
propamocarb[no description available]low00carbamate ester;
carbamate fungicide;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
xenobiotic
5-chloro-2-methyl-4-isothiazolin-3-one[no description available]low001,2-thiazoles;
organochlorine compound		antimicrobial agent;
environmental contaminant;
xenobiotic
2-n-octyl-4-isothiazolin-3-one[no description available]low001,2-thiazolesantibacterial agent;
antifungal agrochemical;
environmental contaminant;
xenobiotic
ioxitalamic acid[no description available]low00acetamides;
benzoic acids;
dicarboxylic acid monoamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
amitraz[no description available]low00formamidines;
tertiary amino compound		acaricide;
environmental contaminant;
insecticide;
xenobiotic
acetosulfame[no description available]low00organic heteromonocyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
sulfamate ester		environmental contaminant;
sweetening agent;
xenobiotic
isoproturon[no description available]low003-(3,4-substituted-phenyl)-1,1-dimethylureaagrochemical;
environmental contaminant;
herbicide;
xenobiotic
metamitron[no description available]low001,2,4-triazinesenvironmental contaminant;
herbicide;
xenobiotic
bezafibrate[no description available]low00aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
triclopyr[no description available]low00aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
propiconazole[no description available]low00conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
metazachlor[no description available]low00aromatic amide;
organochlorine compound;
pyrazoles		environmental contaminant;
herbicide;
xenobiotic
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid[no description available]low00aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic
fenoxycarb[no description available]low00aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
metsulfuron methyl[no description available]low001,3,5-triazines;
benzoate ester;
N-sulfonylurea		environmental contaminant;
herbicide;
xenobiotic
pravastatin[no description available]low003-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
clomazone[no description available]low00isoxazolidinone;
monochlorobenzenes		agrochemical;
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
atomoxetine[no description available]low00aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
aromasil[no description available]low0017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
gemcitabine[no description available]low00organofluorine 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
atorvastatin[no description available]low00aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
valsartan[no description available]low00biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
prosulfocarb[no description available]low00benzenes;
monothiocarbamic ester		environmental contaminant;
herbicide;
xenobiotic
3-iodo-2-propynylbutylcarbamate[no description available]low00acetylenic compound;
carbamate ester;
carbamate fungicide;
organoiodine compound		antifungal agrochemical;
environmental contaminant;
xenobiotic
oseltamivir[no description available]low00acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
iopamidol[no description available]low00benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic
iobitridol[no description available]low00benzenedicarboxamide;
hexol;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
telmisartan[no description available]low00benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
perfluorohexanoic acid[no description available]low00fluoroalkanoic acidenvironmental contaminant;
xenobiotic
perfluoro-n-heptanoic acid[no description available]low00fluoroalkanoic acidenvironmental contaminant;
xenobiotic
perfluoro-n-nonanoic acid[no description available]low00fluoroalkanoic acidpersistent organic pollutant;
surfactant;
xenobiotic
acamprosate[no description available]low00acetamides;
organosulfonic acid		environmental contaminant;
neurotransmitter agent;
xenobiotic
trichlorosucrose[no description available]low00disaccharide derivative;
organochlorine compound		environmental contaminant;
sweetening agent;
xenobiotic
nicosulfuron[no description available]low00N-sulfonylurea;
pyridines;
pyrimidines		environmental contaminant;
herbicide;
xenobiotic
prochloraz[no description available]low00amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
thifensulfuron methyl[no description available]low001,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
flusilazole[no description available]low00conazole fungicide;
monofluorobenzenes;
organosilicon compound;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
perfluoropentanoic acid[no description available]low00fluoroalkanoic acidenvironmental contaminant;
xenobiotic
1-benzylpiperazine[no description available]low00N-alkylpiperazineenvironmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic
perfluoroundecanoic acid[no description available]low00fluoroalkanoic acidenvironmental contaminant;
xenobiotic
sulfluramid[no description available]low00sulfonamideacaricide;
environmental contaminant;
insecticide;
xenobiotic
clarithromycin[no description available]low00macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
spiroxamine[no description available]low00dioxolane;
spiroketal;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic
difenoconazole[no description available]low00aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
dimethomorph[no description available]low00mixture;
morpholine fungicide		antifungal agrochemical;
environmental contaminant;
xenobiotic
cyprodinil[no description available]low00aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
imidacloprid[no description available]low00imidacloprid;
imidazolidines;
monochloropyridine		environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
foe 5043[no description available]low00aromatic amide;
monofluorobenzenes;
thiadiazoles		environmental contaminant;
herbicide;
xenobiotic
nicotine[no description available]low003-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
irgarol 1051[no description available]low00aryl sulfide;
cyclopropanes;
diamino-1,3,5-triazine		antifouling biocide;
environmental contaminant;
xenobiotic
pyrimethanil[no description available]low00aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
kathon 930[no description available]low001,2-thiazoles;
organochlorine compound		environmental contaminant;
fungicide;
xenobiotic
fluazinam[no description available]low00(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
teflubenzuron[no description available]low00dichlorobenzene;
difluorobenzene;
N-acylurea		environmental contaminant;
insecticide;
xenobiotic
diflufenican[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
sulcotrione[no description available]low00aromatic ketone;
beta-triketone;
cyclohexanones;
sulfone		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
tebufenozide[no description available]low00carbohydrazideecdysone agonist;
environmental contaminant;
xenobiotic
dpx e9636[no description available]low00aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone		environmental contaminant;
herbicide;
xenobiotic
arsenocholine[no description available]low00arsonium ion;
organoarsenic compound		human urinary metabolite;
marine metabolite;
xenobiotic
methoxyfenozide[no description available]low00carbohydrazide;
monomethoxybenzene		environmental contaminant;
insecticide;
xenobiotic
thiamethoxam[no description available]low001,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane		antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic
thiacloprid[no description available]low00monochloropyridine;
nitrile;
thiazolidines		environmental contaminant;
neonicotinoid insectide;
xenobiotic
aspartame[no description available]low00carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester		apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
2-ethyl-5-carboxypentyl phthalate[no description available]low00phthalic acid monoesterxenobiotic
carpropamid[no description available]low00amide fungicide;
cyclopropylcarboxamide;
monochlorobenzenes		antifungal agrochemical;
EC 4.2.1.94 (scytalone dehydratase) inhibitor;
melanin synthesis inhibitor;
xenobiotic
naproxen[no description available]low00methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
mesotrione[no description available]low00aromatic ketone;
beta-triketone;
C-nitro compound;
sulfone		carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
troleandomycin[no description available]low00acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
dronedarone[no description available]low001-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
pinoxaden[no description available]low00pivalate ester;
pyrazolooxadiazepine		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
environmental contaminant;
proherbicide;
xenobiotic
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide[no description available]low00anilide fungicide;
biphenyls;
monochlorobenzenes;
pyridinecarboxamide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
environmental contaminant;
xenobiotic
prizes[no description available]low00carboxamidine;
monochloropyridine;
nitrile		environmental contaminant;
neonicotinoid insectide;
xenobiotic
ritonavir[no description available]low001,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
lenticin[no description available]low00amino-acid betaine;
indole alkaloid;
L-tryptophan derivative		fungal metabolite;
plant metabolite;
xenobiotic
cyanoginosin lr[no description available]low00microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
rosuvastatin[no description available]low00dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
cocaine[no description available]low00benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
mycophenolic acid[no description available]low002-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
zithromax[no description available]low00macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
dieldrin[no description available]low00epoxide;
organochlorine compound;
organochlorine insecticide		carcinogenic agent;
xenobiotic
thiopental[no description available]low00barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
ranitidine[no description available]low00C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
azoxystrobin[no description available]low00aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic
sitagliptin[no description available]low00triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tylosin[no description available]low00aldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative		allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic
eprosartan[no description available]low00dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
codeine[no description available]low00morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
levetiracetam[no description available]low00pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
morphine[no description available]low00morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
naltrexone[no description available]low00cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphan[no description available]low006-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
kresoxim-methyl[no description available]low00aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
pyrachlostrobin[no description available]low00aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
cilastatin[no description available]low00carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
microcystin rr[no description available]low00microcystin;
organic molecular entity		bacterial metabolite;
environmental contaminant;
xenobiotic
roxithromycin[no description available]low00roxithromycinenvironmental contaminant;
xenobiotic
yunaconitine[no description available]low00acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
pymetrozine[no description available]low001,2,4-triazines;
pyridines		antifeedant;
environmental contaminant;
TRPV channel modulator;
xenobiotic
neotame[no description available]low00dipeptideenvironmental contaminant;
sweetening agent;
xenobiotic
flonicamid[no description available]low00nitrile;
organofluorine compound;
pyridinecarboxamide		environmental contaminant;
insecticide;
xenobiotic
microcystin-lf[no description available]low00microcystinbacterial metabolite;
environmental contaminant;
xenobiotic
decarbamylsaxitoxin[no description available]low00alkaloid;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
primary alcohol;
pyrrolopurine		bacterial metabolite;
marine metabolite;
neurotoxin;
toxin;
xenobiotic
mephedrone[no description available]low00amphetamines;
aromatic ketone;
secondary amino compound		environmental contaminant;
xenobiotic
clothianidin[no description available]low001,3-thiazoles;
2-nitroguanidine derivative;
clothianidin;
organochlorine compound		environmental contaminant;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
clozapine[no description available]low00benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
benzene[no description available]low00aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
formaldehyde[no description available]low00aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
naphthalene[no description available]low00naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
phenanthrene[no description available]low00ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
2,4,6-tribromophenol[no description available]low00bromophenolenvironmental contaminant;
fungicide;
marine metabolite
2,4-dichlorophenoxyacetic acid[no description available]low00chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
4-nonylphenol[no description available]low00phenolsenvironmental contaminant
dibutyl phthalate[no description available]low00diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
ethion[no description available]low00organic thiophosphateacaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
methyl parathion[no description available]low00C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
bromodichloromethane[no description available]low00halomethaneenvironmental contaminant;
reagent
trichlorofluoromethane[no description available]low00chlorofluorocarbon;
halomethane		environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant
tris(2-butoxyethyl) phosphate[no description available]low00trialkyl phosphateenvironmental contaminant;
flame retardant
cumene hydroperoxide[no description available]low00peroxolenvironmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent
1-nitronaphthalene[no description available]low00mononitronaphthaleneenvironmental contaminant;
mouse metabolite
2-nitrotoluene[no description available]low00mononitrotoluenecarcinogenic agent;
environmental contaminant
2-methyl-4-chlorophenoxyacetic acid[no description available]low00chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin
benzotrifluoride[no description available]low00(trifluoromethyl)benzenes;
fluorohydrocarbon		environmental contaminant;
NMR chemical shift reference compound;
solvent
n-nitrosopiperidine[no description available]low00nitrosamine;
piperidine		apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen
cyclamic acid[no description available]low00sulfamic acidsenvironmental contaminant;
human xenobiotic metabolite
1,3-dichloropropane[no description available]low00chloroalkane;
chlorohydrocarbon		environmental contaminant;
nematicide
malachite green[no description available]low00organic chloride saltantibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent
2,6-dimethylnaphthalene[no description available]low00dimethylnaphthaleneenvironmental contaminant
brilliant green[no description available]low00organic hydrogensulfate saltantibacterial agent;
antiseptic drug;
environmental contaminant;
fluorochrome;
histological dye;
poison
ametryne[no description available]low00diamino-1,3,5-triazine;
methylthio-1,3,5-triazine		environmental contaminant;
herbicide
3-methylfuran[no description available]low00furans;
volatile organic compound		Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite
bpmc[no description available]low00carbamate esteragrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
herbicide;
insecticide
pirimiphos methyl[no description available]low00aminopyrimidine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
pendimethalin[no description available]low00C-nitro compound;
secondary amino compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide
isoprothiolane[no description available]low00dithiolanes;
isopropyl ester;
malonate ester		antifungal agrochemical;
environmental contaminant;
insecticide;
phospholipid biosynthesis inhibitor
perfluorododecanoic acid[no description available]low00fluoroalkanoic acidenvironmental contaminant
t-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin
2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide[no description available]low00benzotriazoles
1-[1-[[1-[(4-methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole[no description available]low00benzotriazoles
3-(1-benzotriazolylmethyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00benzotriazoles;
triazolothiadiazole
1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-cyclohexylthiourea[no description available]low00benzotriazoles
3-(1-benzotriazolylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00benzotriazoles;
triazolothiadiazole
3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00benzotriazoles;
triazolothiadiazole
2-[(6-chloro-1-benzotriazolyl)oxy]-N-(4-fluorophenyl)acetamide[no description available]low00benzotriazoles
1-propan-2-yl-5-benzotriazolecarboxylic acid[no description available]low00benzotriazoles
1-(1-benzotriazolyl)-3-(2-methylphenoxy)-2-propanol[no description available]low00benzotriazoles
2-amino-5-(1-benzotriazolyl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile[no description available]low00benzotriazoles
2-(1H-1,2,3-Benzotriazol-1-yl)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide[no description available]low00benzotriazolesanticoronaviral agent
vorozole[no description available]low00benzotriazoles
ConditionIndicatedRelationship StrengthStudiesTrials
Pregnancy0low10