pymetrozine

Description

pymetrozine: an anti-feedant against aphids, whiteflies, and leaf hoppers [MeSH]

pymetrozine : A member of the class of 1,2,4-triazines that is 4,5-dihydro-1,2,4-triazin-3(2H)-one substituted by a methyl group at position 6 and a (pyridin-3-ylmethylidene)amino group at position 4. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	9576037
CHEMBL ID	1906026
SCHEMBL ID	26438
SCHEMBL ID	26437
CHEBI ID	39311
MeSH ID	M0458651

Synonyms (46)

Synonym
pymetrozine
CHEBI:39311 ,
123312-89-0
(e)-4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2h)-one
6-methyl-4-{[(1e)-pyridin-3-ylmethylene]amino}-4,5-dihydro-1,2,4-triazin-3(2h)-one
NCGC00164310-01
plenum
cga 215944
hsdb 7054
einecs annex i index 613-202-00-4
1,2,4-triazin-3(2h)-one, 4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-, (e)-
1,2,4-triazin-3(2h)-one, 4,5-dihydro-6-methyl-4-((e)-(3-pyridinylmethylene)amino)-
fulfill
NCGC00168332-01
A805042
6-methyl-4-[(e)-3-pyridinylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
6-methyl-4-[(e)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
NCGC00168332-02
C18590
f0g3v7874j ,
pymetrozine [iso:bsi]
unii-f0g3v7874j
dtxsid2032637 ,
dtxcid0012637
NCGC00254783-01
cas-123312-89-0
tox21_300879
pymetrozin
AKOS015913530
CHEMBL1906026
pymetrozine [hsdb]
pymetrozine [mi]
pymetrozine [iso]
4,5-dihydro-6-methyl-4-((e)-(3-pyridinylmethylene)amino)-1,2,4-triazin-3(2h)-one
(e)-4,5-dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin-3(2h)-one
SCHEMBL26438
SCHEMBL26437
CS-5903
HY-B0821
QHMTXANCGGJZRX-WUXMJOGZSA-N
KS-5371
J-004909
AC-9080
pymetrozin, pestanal(r), analytical standard
1,2,4-triazin-3(2h)-one, 4,5-dihydro-6-methyl-4-[(e)-(3-pyridinylmethylene)amino]-
AMY3563

Roles (4)

Role	Description
antifeedant	A substance that prevents pests from feeding.
environmental contaminant	Any minor or unwanted substance introduced into the environment that can have undesired effects.
xenobiotic	A 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.
TRPV channel modulator	Any transient receptor potential (TRP) channel modulator that modulates the TRPV channels (V = vanilloid). There is strong evidence that action at one or more of this class of proteins is responsible for the insecticidal action of pymetrozine, pyrifluquinazon, and afidopyropen.

Drug Classes (2)

Class	Description
1,2,4-triazines	Any compound with a 1,2,4-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 2 and 4 of the core benzene ring structure.
pyridines	Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.

Protein Targets (4)

Potency Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	0.0017	AID1159553
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	41.1302	AID743075; AID743079
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	50.1621	AID743085; AID743122
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	0.0316	AID588545

Bioassays (22)

Assay ID	Title	Year	Journal	Article
AID1104731	Resistance ratio of LC50 for Bemisia tabaci biotype-Q Q2 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104727	Resistance ratio of LC50 for Bemisia tabaci biotype-B B3 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104738	Insecticidal activity against Bemisia tabaci biotype-Q Q2 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104737	Insecticidal activity against Bemisia tabaci biotype-Q Q3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104728	Resistance ratio of LC50 for Bemisia tabaci biotype-B B2 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104729	Resistance ratio of LC50 for Bemisia tabaci biotype-B B1 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104741	Insecticidal activity against Bemisia tabaci LABS (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104730	Resistance ratio of LC50 for Bemisia tabaci biotype-Q Q3 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104718	Selectivity ratio of LC50 for thiamethoxam-selected Bemisia tabaci B1B3 (sweet potato whitefly) to LC50 for Bemisia tabaci B1B3	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104723	Insecticidal activity against Bemisia tabaci B1B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104732	Resistance ratio of LC50 for Bemisia tabaci biotype-Q Q1 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104739	Insecticidal activity against Bemisia tabaci biotype-Q Q1 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104722	Insecticidal activity against pymetrozine-selected Bemisia tabaci B1B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104720	Insecticidal activity against thiamethoxam-selected Bemisia tabaci B1B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104715	Selectivity ratio of LC50 for pymetrozine-selected Bemisia tabaci B2 (sweet potato whitefly) to LC50 for Bemisia tabaci B2	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104735	Insecticidal activity against Bemisia tabaci biotype-B B3 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104733	Insecticidal activity against Bemisia tabaci biotype-B B4 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104725	Resistance ratio of LC50 for Bemisia tabaci biotype-B B4 (sweet potato whitefly) to LC50 for Bemisia tabaci LABS	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104717	Insecticidal activity against pymetrozine-selected Bemisia tabaci B2 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104726	Selectivity ratio of LC50 for pymetrozine-selected Bemisia tabaci B1B3 (sweet potato whitefly) to LC50 for Bemisia tabaci B1B3	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104736	Insecticidal activity against Bemisia tabaci biotype-B B1 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).
AID1104734	Insecticidal activity against Bemisia tabaci biotype-B B2 (sweet potato whitefly) after 96 hr by leaf-dip bioassay	2010	Pest management science, Nov, Volume: 66, Issue:11 ISSN: 1526-4998	Cross-resistance relationships between neonicotinoids and pymetrozine in Bemisia tabaci (Hemiptera: Aleyrodidae).

Research

Studies (68)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	14 (20.59)	29.6817
2010's	30 (44.12)	24.3611
2020's	24 (35.29)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	70 (100.00%)	84.16%

Substance	Classes	Roles	Relationship Strength
lamotrigine	1,2,4-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	low
metribuzin	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic	low
metamitron	1,2,4-triazines	environmental contaminant; herbicide; xenobiotic	low
1,2,4-triazine	1,2,4-triazines; triazine		low
azauracil	1,2,4-triazines; nucleobase analogue	antimetabolite	low
6-azathymine	1,2,4-triazines; cyclic ketone; nucleobase analogue	EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitor; Mycoplasma genitalium metabolite	low
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine	1,2,4-triazines		low
Benzo[E]pyrazolo[5,1-c][1,2,4]triazin-8-yl N,N-dimethylcarbamate	1,2,4-triazines		low
3-(2,5-dimethyl-3-furanyl)-5,6-diphenyl-1,2,4-triazine	1,2,4-triazines		low
3-(3,5-dimethyl-1-pyrazolyl)-5-phenyl-1,2,4-triazine	1,2,4-triazines		low
ceftriaxone	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor	low
5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine	1,2,4-triazines		low
ml228 probe	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator	low
6-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one	1,2,4-triazines		low
3-cyanopyridine	nitrile; pyridines		low
2-(3-pyridine)acetic acid	monocarboxylic acid; pyridines	human xenobiotic metabolite	low
nicotine 1-n-oxide	pyridines; pyrrolidine N-oxides		low
norcotinine	pyridines; pyrrolidines		low
4-oxo-4-(3-pyridyl)butanoic acid	aromatic ketone; monocarboxylic acid; pyridines		low
pyridine	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound	low
carbinoxamine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist	low
chlorpheniramine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor	low
disopyramide	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug	low
doxylamine	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative	low
fusaric acid	aromatic carboxylic acid; pyridines		low
iproniazid	carbohydrazide; pyridines		low
lansoprazole	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	low
entinostat	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
niflumic acid	aromatic carboxylic acid; pyridines		low
omeprazole	aromatic ether; benzimidazoles; pyridines; sulfoxide		low
pantoprazole	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic	low
pheniramine	pyridines; tertiary amino compound		low
pinacidil	pyridines		low
pioglitazone	aromatic 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	low
pirbuterol	pyridines		low
pyridinolcarbamate	pyridines		low
quipazine	piperazines; pyridines		low
rabeprazole	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	low
sb 202190	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
risedronic acid	pyridines		low
imatinib	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
streptonigrin	pyridines; quinolone	antimicrobial agent; antineoplastic agent	low
sulfapyridine	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic	low
tazarotene	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent	low
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine	N-substituted diamine; pyridines; tertiary amino compound	apoptosis inducer; chelator; copper chelator	low
thurfyl nicotinate	aromatic carboxylic acid; pyridines		low
brompheniramine	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist	low
methyl nicotinate	aromatic carboxylic acid; pyridines		low
citrazinic acid	aromatic carboxylic acid; pyridines		low
nicotinyl alcohol	aromatic primary alcohol; pyridines	antilipemic drug; vasodilator agent	low
beta-nicotyrine	pyridines		low
3-ethylpyridine	pyridines		low
2-Pyridinylmethanol	pyridines		low
nicoboxil	aromatic carboxylic acid; pyridines		low
clopyralid	organochlorine pesticide; pyridines	herbicide	low
oxiniacic acid	aromatic carboxylic acid; pyridines		low
2-(aminomethyl)pyridine	pyridines		low
propiram	pyridines		low
n'-nitrosonornicotine	pyridines; pyrrolidines		low
[4-(2-pyridinyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone	piperazines; pyridines		low
5-hydroxynicotinic acid	aromatic carboxylic acid; pyridines		low
n-cyano-n'-(1,1-dimethylpropyl)-n''-(3-pyridinyl)guanidine	pyridines		low
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone	nitrosamine; pyridines		low
haloxyfop	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines		low
fluazifop-butyl	aromatic ether; carboxylic ester; organofluorine compound; pyridines		low
imazapyr, (+-)-isomer	imidazolines; imidazolone; pyridinemonocarboxylic acid; pyridines		low
imazethapyr	aromatic carboxylic acid; pyridines		low
2,2'-dipyridyl disulfide	organic disulfide; pyridines	oxidising agent	low
droxicam	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug	low
methyridine	pyridines		low
picosulfate sodium	aryl sulfate; pyridines		low
2-hydroxynicotinic acid	aromatic carboxylic acid; pyridines		low
ethylnicotinate	aromatic carboxylic acid; pyridines		low
nicametate	aromatic carboxylic acid; pyridines		low
nicotinamide n-oxide	pyridines		low
nicosulfuron	N-sulfonylurea; pyridines; pyrimidines	environmental contaminant; herbicide; xenobiotic	low
4,4'-dipyridyl disulfide	organic disulfide; pyridines		low
2-Chloronicotinic acid	aromatic carboxylic acid; pyridines		low
4-methoxymethylpyridoxine	pyridines		low
6-chloronicotinic acid	aromatic carboxylic acid; pyridines		low
2-pyridylacetic acid	pyridines		low
fluazifop	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines		low
pyriproxyfen	aromatic ether; pyridines	juvenile hormone mimic	low
dithiopyr	organofluorine compound; pyridines; thioester		low
thiazopyr	aromatic carboxylic acid; pyridines		low
dpx e9636	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic	low
clodinafop-propargyl	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide	low
flazasulfuron	pyridines; sulfonamide		low
2,6-dichloroisonicotinic acid	monocarboxylic acid; organochlorine compound; pyridines	EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor	low
difenpiramide	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol	nitrosamine; pyridines; secondary alcohol	biomarker; carcinogenic agent; human urinary metabolite	low
hydroxycotinine	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid		low
5-hydroxymethylomeprazole	aromatic ether; benzimidazoles; pyridines; sulfoxide	drug metabolite	low
forasartan	benzenes; pyridines; tetrazoles; triazoles	angiotensin receptor antagonist; antihypertensive agent	low
abiraterone	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor	low
agn 190299	monocarboxylic acid; pyridines; retinoid; thiochromane	keratolytic drug; teratogenic agent	low
vatalanib	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
metyrapol	pyridines		low
sb 203580	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent	low
aminopyralid	aromatic amine; organochlorine pesticide; pyridines	herbicide	low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low
dabigatran	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor	low
alpha-(trichloromethyl)-4-pyridineethanol	pyridines		low
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
gant58	pyridines		low
3-(3-pyridinyl)propanoic acid	pyridines		low
rosoxacin	pyridines; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antiinfective agent	low
gant 61	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor	low
e 3040	benzothiazoles; organic hydroxy compound; pyridines; secondary amino compound	anti-inflammatory drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; uricosuric drug	low
E3040 glucuronide	benzothiazoles; beta-D-glucosiduronic acid; pyridines; secondary amino compound	xenobiotic metabolite	low
cerivastatin	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)		low
hts 466284	pyrazoles; pyridines; quinolines	TGFbeta receptor antagonist	low
prinomastat	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor	low
6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester	aromatic carboxylic acid; pyridines		low
5-(2-furanyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	pyridines		low
1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone	pyridines		low
s 1033	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide	pyridines		low
5-(4-propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	pyridines		low
N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-oxolanecarboxamide	pyridines		low
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide	pyridines		low
6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile	piperazines; pyridines		low
[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile	nitrile; pyridines		low
5,8-dimethoxy-4-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)quinoline	piperazines; pyridines		low
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile	piperazines; pyridines		low
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide	acetamides; piperidines; pyridines; sulfonamide		low
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline	pyridines; pyrrolidines; quinazolines		low
2-methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine	piperazines; pyridines		low
prothionamide	pyridines		low
N2-(4-fluorophenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine	piperazines; pyridines		low
1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)urea	pyridines		low
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline		low
5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester	aromatic carboxylic acid; pyridines		low
2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine	pyridines		low
5-(3-pyridinylmethyl)-1,3,5-triazinane-2-thione	pyridines		low
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile	nitrile; pyridines		low
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile	nitrile; pyridines		low
GS4012 free base	aryl sulfide; monomethoxybenzene; pyridines	VEGF activator	low
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole	pyridines		low
4-(methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile	piperazines; pyridines		low
1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-benzo[cd]indolone	piperazines; pyridines		low
cotinine	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite	low
1-propylsulfonyl-4-(2-pyridinyl)piperazine	piperazines; pyridines		low
2-(2-phenylethylthio)-3-pyridinecarboxylic acid	aromatic carboxylic acid; pyridines		low
1,3-benzothiazol-2-yl-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
2-(2,6-dichloroanilino)-3-pyridinesulfonamide	pyridines; sulfonamide		low
4-(4-chloroanilino)-3-pyridinesulfonamide	pyridines; sulfonamide		low
6-(2-oxopropylthio)-3-pyridinecarboxylic acid	aromatic carboxylic acid; pyridines		low
6-chloro-N-(2-hydroxyphenyl)-3-pyridinesulfonamide	pyridines; sulfonamide		low
3-(phenylmethyl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	pyridines; triazolothiadiazole		low
6-(4-benzoyl-1-piperazinyl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile	piperazines; pyridines		low
5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)-3-pyridinesulfonamide	pyridines; sulfonamide		low
pyrabactin	naphthalenes; organobromine compound; pyridines; sulfonamide	abscisic acid receptor agonist; hormone; plant growth regulator	low
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline	piperazines; pyridines		low
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone	piperazines; pyridines		low
(4-chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline	piperazines; pyridines		low
1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile	pyridines		low
7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile	piperazines; pyridines		low
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
5-cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester	piperazines; pyridines		low
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine	pyridines; quinazolines; tertiary amino compound		low
4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile	nitrile; pyridines		low
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
mcb-613	cyclic ketone; enone; pyridines	antineoplastic agent; steroid receptor coactivator stimulator	low
5,6-dichloro-3-pyridinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-thiopyridine	aryl thiol; pyridines	allergen; fluorescence quencher	low
2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile	nitrile; pyridines		low
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile	nitrile; pyridines		low
N-benzyl-N'-methyl-N-(pyridin-3-ylmethyl)thiourea	pyridines		low
3-Chloro-5-(trifluoromethyl)pyridine-2-carbothioamide	pyridines		low
2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid	aromatic carboxylic acid; pyridines		low
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide	piperazines; pyridines		low
5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester	aromatic carboxylic acid; pyridines		low
ethionamide	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug	low
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile	piperazines; pyridines		low
2-(propylthio)nicotinic acid	aromatic carboxylic acid; pyridines		low
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile	nitrile; pyridines		low
3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine	pyridines; pyrrolidines		low
(3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]methanone	piperazines; pyridines		low
3-[5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]isoxazole	piperazines; pyridines		low
2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile	nitrile; pyridines		low
4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-7-chloroquinoline	piperazines; pyridines		low
3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline	piperazines; pyridines		low
3-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone	piperazines; pyridines		low
4-phenoxy-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone	piperazines; pyridines		low
2-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-4-phenylthiazole	piperazines; pyridines		low
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-3-pyridinesulfonamide	pyridines; sulfonamide		low
alpha-nicotyrine	pyridines		low
dapiprazole	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug	low
glucitol hexanicotinate	aromatic carboxylic acid; pyridines		low
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound		low
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide	benzodioxoles; pyridines; secondary carboxamide; tertiary carboxamide; trifluoroacetamide		low
1-methyl-4-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-2-quinolinone	piperazines; pyridines		low
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid propan-2-yl ester	aryl sulfide; azole; isopropyl ester; oxadiazole; pyridines		low
6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one	piperazines; pyridines		low
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamide	piperazines; pyridines		low
4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione	piperazines; pyridines		low
ml012	piperazines; pyridines		low
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone	piperazines; pyridines		low
N-(2-furanylmethyl)-N'-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]butanediamide	piperazines; pyridines		low
[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
2-[(5-formyl-2-methoxyphenyl)methylthio]-3-pyridinecarboxylic acid	aromatic carboxylic acid; pyridines		low
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile	piperazines; pyridines		low
5-cyano-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester	piperazines; pyridines		low
2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester	isopropyl ester; piperazines; pyridines		low
3-(1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl)pyridine	pyridines		low
[4-[(2-chlorophenyl)methylsulfonyl]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
hydroxypioglitazone	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite	low
2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester	aromatic carboxylic acid; pyridines		low
3-(4-ethylphenyl)-4-hydroxy-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-quinazolin-2-one	piperazines; pyridines		low
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine	aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound		low
abt724	piperazines; pyridines		low
2-(4-acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile	piperazines; pyridines		low
triprolidine	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist	low
pibutidine	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist	low
acrivastine	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist	low
2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile	nitrile; pyridines		low
[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide	piperazines; pyridines		low
clodinafop	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide	low
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one	enone; pyridines	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor	low
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone	piperazines; pyridines		low
axitinib	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	low
2-[4-(2-pyrimidinyl)-1-piperazinyl]quinoline	piperazines; pyridines		low
(2-Chloro-4-pyridinyl)methanol	organohalogen compound; pyridines		low
abiraterone acetate	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug	low
mocetinostat	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent	low
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide	piperazines; pyridines		low
4-(1H-imidazol-5-ylmethyl)pyridine	pyridines		low
680c91	fluoroindole; olefinic compound; pyridines	EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor	low
masitinib	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor	low
vorapaxar	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
ciclonicate	aromatic carboxylic acid; pyridines		low
tedizolid	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor	low
chlorantranilipole	monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide	ryanodine receptor agonist	low
picoxystrobin	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
tedizolid phosphate	carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles	antimicrobial agent; prodrug; protein synthesis inhibitor	low
dorsomorphin	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor	low
cyantraniliprole	nitrile; organobromine compound; organochlorine compound; pyrazole insecticide; pyridines; secondary carboxamide	ryanodine receptor agonist	low
GDC-0879	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor	low
bgt226	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
[4-(3-chlorophenyl)-1-piperazinyl]-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone	piperazines; pyridines		low
dafadine C	aromatic amide; aromatic ether; difluorobenzene; isoxazoles; N-acylpiperidine; pyridines	P450 inhibitor	low
dafadine B	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor	low
1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea	piperazines; pyridines		low
lumacaftor	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug	low
ro5126766	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
sulfoxaflor	nitrile; organofluorine compound; pyridines; sulfoximide		low
cnf 2024	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor	low
gdc 0449	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent	low
bms 754807	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines	geroprotector; P450 inhibitor	low
dafadine D	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor	low
dafadine O	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly	P450 inhibitor	low
florbetapir f 18	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent	low
sch772984	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk 2126458	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent	low
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine	pyridines; sulfonamide		low
lgk974	bipyridines; pyrazines; pyridines; secondary carboxamide	Wnt signalling inhibitor	low
N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide	piperazines; pyridines		low
afidopyropen	cyclopropanecarboxylate ester; organic heterotetracyclic compound; pyridines; secondary alcohol	agrochemical; insecticide; TRPV channel modulator	low
piroxicam	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	low
mobiflex	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
lornoxicam	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
MK-8353	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk-2816126	piperazines; pyridines		low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
GSK1059615	pyridines; quinolines; thiazolidinone	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
pf-06687252	azabicycloalkane; enone; phenols; pyridines		low
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	low
sb-590885	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound		low
dabigatran etexilate	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug	low

Substance	Classes	Roles	Relationship Strength
allyl cyanide	aliphatic nitrile; olefinic compound	antifeedant; neurotoxin; plant metabolite	low
pelargonic acid	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite	low
decamethrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide	low
primin	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite	low
thiamethoxam	1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane	antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic	low
albicanol	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	low
3-octanone	dialkyl ketone	antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin	low
germacrone	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component	low
salannin	acetate ester; furans; limonoid; methyl ester; organic heteropentacyclic compound	antifeedant; insect growth regulator; plant metabolite	low
yunaconitine	acetate 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	low
6-deacetylnimbin	cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	antifeedant; insect growth regulator; plant metabolite	low
viridiflorol	carbotricyclic compound; sesquiterpenoid; tertiary alcohol	anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component	low
benzene	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent	low
bupropion	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic	low
formaldehyde	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	low
naphthalene	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component	low
phenanthrene	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite	low
pyridine	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound	low
1-(3-chlorophenyl)piperazine	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic	low
2,4,6-tribromophenol	bromophenol	environmental contaminant; fungicide; marine metabolite	low
2,4-dichlorophenoxyacetic acid	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin	low
4-nonylphenol	phenols	environmental contaminant	low
acetaminophen	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	low
acetochlor	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic	low
alachlor	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic	low
albuterol	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic	low
diatrizoic acid	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic	low
dan 2163	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic	low
amitriptyline	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic	low
antipyrine	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
atenolol	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic	low
atrazine	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
bentazone	benzothiadiazine	environmental contaminant; herbicide; xenobiotic	low
caffeine	purine 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	low
candesartan	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	low
carbamazepine	dibenzoazepine; 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	low
cetirizine	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic	low
chlorpyrifos	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	low
ciprofloxacin	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	low
clotrimazole	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic	low
diazepam	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic	low
diazinon	organic thiophosphate; pyrimidines	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic	low
dibutyl phthalate	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent	low
dicamba	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic	low
dichlobanil	dichlorobenzene; nitrile	agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic	low
diclofenac	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
dimethoate	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	low
diuron	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic	low
ethion	organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide	low
fenofibrate	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic	low
fluconazole	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic	low
fluorouracil	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	low
furosemide	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic	low
gabapentin	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic	low
hydrochlorothiazide	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic	low
ibuprofen	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic	low
lidocaine	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic	low
ifosfamide	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic	low
indomethacin	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	low
iohexol	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic	low
iomeprol	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic	low
iopromide	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic	low
avapro	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	low
ketamine	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic	low
ketoprofen	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	low
lamotrigine	1,2,4-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	low
tetramisole	imidazothiazole	environmental contaminant; xenobiotic	low
mefenamic acid	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	low
metformin	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic	low
methomyl	aliphatic sulfide; carbamate ester	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic	low
methyl parathion	C-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	low
metoclopramide	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic	low
metoprolol	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic	low
metronidazole	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic	low
moclobemide	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic	low
deet	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic	low
1-(3-trifluoromethylphenyl)piperazine	(trifluoromethyl)benzenes; N-arylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic	low
norfloxacin	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic	low
oxazepam	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic	low
oxybenzone	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic	low
pantoprazole	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic	low
primidone	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic	low
prometone	diamino-1,3,5-triazine; methoxy-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
prometryne	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
propachlor	anilide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic	low
propazine	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
propranolol	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic	low
saccharin	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic	low
sulfadiazine	pyrimidines; 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	low
simazine	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
sotalol	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic	low
sulfadimethoxine	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic	low
sulfamethazine	pyrimidines; 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	low
sulfamethoxazole	isoxazoles; 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	low
sulfapyridine	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic	low
sulfathiazole	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic	low
trifluralin	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic	low
trimethoprim	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic	low
trimipramine	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic	low
venlafaxine	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic	low
prednisolone	11beta-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	low
reserpine	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic	low
spironolactone	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic	low
aminopyrine	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
bromodichloromethane	halomethane	environmental contaminant; reagent	low
trichlorofluoromethane	chlorofluorocarbon; halomethane	environmental contaminant; NMR chemical shift reference compound; NMR solvent; refrigerant	low
tris(2-butoxyethyl) phosphate	trialkyl phosphate	environmental contaminant; flame retardant	low
bisphenol a	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen	low
cumene hydroperoxide	peroxol	environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent	low
methylprednisolone	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic	low
1-nitronaphthalene	mononitronaphthalene	environmental contaminant; mouse metabolite	low
2-nitrotoluene	mononitrotoluene	carcinogenic agent; environmental contaminant	low
2-methyl-4-chlorophenoxyacetic acid	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin	low
2-methyl-4-chlorophenoxy gamma-butyric acid	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic	low
benzotriazole	benzotriazoles	environmental contaminant; xenobiotic	low
benzothiazole	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic	low
benzotrifluoride	(trifluoromethyl)benzenes; fluorohydrocarbon	environmental contaminant; NMR chemical shift reference compound; solvent	low
n-nitrosopiperidine	nitrosamine; piperidine	apoptosis inducer; carcinogenic agent; environmental contaminant; mutagen	low
cyclamic acid	sulfamic acids	environmental contaminant; human xenobiotic metabolite	low
triclocarban	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic	low
fenuron	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic	low
diglyme	polyether	environmental contaminant; solvent; xenobiotic	low
2-naphthalenesulfonic acid	naphthalenesulfonic acid	environmental contaminant; xenobiotic	low
4-sulfanilic acid	aminobenzenesulfonic acid	allergen; environmental contaminant; xenobiotic metabolite; xenobiotic	low
5-tolyltriazole	benzotriazoles	environmental contaminant; xenobiotic	low
monuron	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes	environmental contaminant; herbicide; xenobiotic	low
1,3-dichloropropane	chloroalkane; chlorohydrocarbon	environmental contaminant; nematicide	low
ephedrine	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
linuron	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic	low
perfluorooctanoic acid	fluoroalkanoic acid	carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic	low
perfluorodecanoic acid	fluoroalkanoic acid	environmental contaminant; xenobiotic	low
perfluorobutyric acid	fluoroalkanoic acid	chromatographic reagent; environmental contaminant; xenobiotic	low
triphenylmethane	triarylmethane	environmental contaminant; xenobiotic	low
methamphetamine	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic	low
malachite green	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent	low
2,6-dimethylnaphthalene	dimethylnaphthalene	environmental contaminant	low
brilliant green	organic hydrogensulfate salt	antibacterial agent; antiseptic drug; environmental contaminant; fluorochrome; histological dye; poison	low
ametryne	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	environmental contaminant; herbicide	low
terbutryne	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
3-methylfuran	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite	low
ethambutol	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic	low
metformin hydrochloride	hydrochloride	environmental contaminant; hypoglycemic agent; xenobiotic	low
ioxynil	iodophenol; nitrile	environmental contaminant; herbicide; xenobiotic	low
bromoxynil	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic	low
pyrazon	benzenes; organochlorine compound; primary amino compound; pyridazinone	environmental contaminant; herbicide; xenobiotic	low
methiocarb	aryl sulfide; carbamate ester; methyl sulfide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic	low
lenacil	cyclopentapyrimidine	agrochemical; environmental contaminant; herbicide; xenobiotic	low
fluometuron	(trifluoromethyl)benzenes; 3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic	low
1,2-benzisothiazoline-3-one	organic heterobicyclic compound; organonitrogen heterocyclic compound	disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic	low
asulam	carbamate ester; primary amino compound; substituted aniline; sulfonamide	agrochemical; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; herbicide; xenobiotic	low
bpmc	carbamate ester	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; herbicide; insecticide	low
chlorpyrifos-methyl	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	low
terbutylazine	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
desmedipham	carbamate ester	agrochemical; environmental contaminant; herbicide; xenobiotic	low
phenmedipham	carbamate ester	environmental contaminant; herbicide; xenobiotic	low
chlortoluron	monochlorobenzenes; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic	low
methoxuron	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes; monomethoxybenzene	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; plant growth regulator; xenobiotic	low
neohesperidin dihydrochalcone	dihydrochalcones; disaccharide derivative; neohesperidoside	environmental contaminant; plant metabolite; sweetening agent; xenobiotic	low
metribuzin	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic	low
cyanazine	1,3,5-triazinylamino nitrile; chloro-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic	low
pirimicarb	aminopyrimidine; carbamate ester; tertiary amino compound	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	low
butachlor	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic	low
propamocarb	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic	low
5-chloro-2-methyl-4-isothiazolin-3-one	1,2-thiazoles; organochlorine compound	antimicrobial agent; environmental contaminant; xenobiotic	low
2-n-octyl-4-isothiazolin-3-one	1,2-thiazoles	antibacterial agent; antifungal agrochemical; environmental contaminant; xenobiotic	low
pirimiphos methyl	aminopyrimidine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide	low
ioxitalamic acid	acetamides; benzoic acids; dicarboxylic acid monoamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic	low
amitraz	formamidines; tertiary amino compound	acaricide; environmental contaminant; insecticide; xenobiotic	low
acetosulfame	organic heteromonocyclic compound; organonitrogen heterocyclic compound; oxacycle; sulfamate ester	environmental contaminant; sweetening agent; xenobiotic	low
isoproturon	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; xenobiotic	low
pendimethalin	C-nitro compound; secondary amino compound; substituted aniline	agrochemical; environmental contaminant; herbicide	low
metamitron	1,2,4-triazines	environmental contaminant; herbicide; xenobiotic	low
bezafibrate	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic	low
isoprothiolane	dithiolanes; isopropyl ester; malonate ester	antifungal agrochemical; environmental contaminant; insecticide; phospholipid biosynthesis inhibitor	low
triclopyr	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic	low
propiconazole	conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	low
metazachlor	aromatic amide; organochlorine compound; pyrazoles	environmental contaminant; herbicide; xenobiotic	low
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic	low
fenoxycarb	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic	low
metsulfuron methyl	1,3,5-triazines; benzoate ester; N-sulfonylurea	environmental contaminant; herbicide; xenobiotic	low
pravastatin	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic	low
clomazone	isoxazolidinone; monochlorobenzenes	agrochemical; carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic	low
atomoxetine	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic	low
aromasil	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic	low
gemcitabine	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	low
atorvastatin	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic	low
valsartan	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	low
prosulfocarb	benzenes; monothiocarbamic ester	environmental contaminant; herbicide; xenobiotic	low
3-iodo-2-propynylbutylcarbamate	acetylenic compound; carbamate ester; carbamate fungicide; organoiodine compound	antifungal agrochemical; environmental contaminant; xenobiotic	low
oseltamivir	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic	low
iopamidol	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic	low
iobitridol	benzenedicarboxamide; hexol; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic	low
telmisartan	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic	low
perfluorohexanoic acid	fluoroalkanoic acid	environmental contaminant; xenobiotic	low
perfluorododecanoic acid	fluoroalkanoic acid	environmental contaminant	low
perfluoro-n-heptanoic acid	fluoroalkanoic acid	environmental contaminant; xenobiotic	low
acamprosate	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic	low
trichlorosucrose	disaccharide derivative; organochlorine compound	environmental contaminant; sweetening agent; xenobiotic	low
nicosulfuron	N-sulfonylurea; pyridines; pyrimidines	environmental contaminant; herbicide; xenobiotic	low
prochloraz	amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	low
thifensulfuron methyl	1,3,5-triazines; methyl ester; N-sulfonylurea; thiophenes	agrochemical; environmental contaminant; herbicide; xenobiotic	low
flusilazole	conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	low
perfluoropentanoic acid	fluoroalkanoic acid	environmental contaminant; xenobiotic	low
1-benzylpiperazine	N-alkylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic	low
perfluoroundecanoic acid	fluoroalkanoic acid	environmental contaminant; xenobiotic	low
sulfluramid	sulfonamide	acaricide; environmental contaminant; insecticide; xenobiotic	low
clarithromycin	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic	low
spiroxamine	dioxolane; spiroketal; tertiary amino compound	antifungal agrochemical; environmental contaminant; sterol biosynthesis inhibitor; xenobiotic	low
difenoconazole	aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	low
dimethomorph	mixture; morpholine fungicide	antifungal agrochemical; environmental contaminant; xenobiotic	low
cyprodinil	aminopyrimidine; anilinopyrimidine fungicide; cyclopropanes; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic	low
imidacloprid	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	low
foe 5043	aromatic amide; monofluorobenzenes; thiadiazoles	environmental contaminant; herbicide; xenobiotic	low
irgarol 1051	aryl sulfide; cyclopropanes; diamino-1,3,5-triazine	antifouling biocide; environmental contaminant; xenobiotic	low
pyrimethanil	aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic	low
kathon 930	1,2-thiazoles; organochlorine compound	environmental contaminant; fungicide; xenobiotic	low
fluazinam	(trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound	allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic	low
teflubenzuron	dichlorobenzene; difluorobenzene; N-acylurea	environmental contaminant; insecticide; xenobiotic	low
diflufenican	(trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic	low
sulcotrione	aromatic ketone; beta-triketone; cyclohexanones; sulfone	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic	low
tebufenozide	carbohydrazide	ecdysone agonist; environmental contaminant; xenobiotic	low
dpx e9636	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic	low
methoxyfenozide	carbohydrazide; monomethoxybenzene	environmental contaminant; insecticide; xenobiotic	low
thiacloprid	monochloropyridine; nitrile; thiazolidines	environmental contaminant; neonicotinoid insectide; xenobiotic	low
aspartame	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic	low
naproxen	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
mesotrione	aromatic ketone; beta-triketone; C-nitro compound; sulfone	carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic	low
dronedarone	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic	low
pinoxaden	pivalate ester; pyrazolooxadiazepine	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; environmental contaminant; proherbicide; xenobiotic	low
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide	anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic	low
prizes	carboxamidine; monochloropyridine; nitrile	environmental contaminant; neonicotinoid insectide; xenobiotic	low
ritonavir	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic	low
cyanoginosin lr	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic	low
rosuvastatin	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic	low
cocaine	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
mycophenolic acid	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic	low
zithromax	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic	low
thiopental	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic	low
ranitidine	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic	low
azoxystrobin	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	low
sitagliptin	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic	low
tylosin	aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative	allergen; bacterial metabolite; environmental contaminant; xenobiotic	low
eprosartan	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	low
codeine	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic	low
t-2 toxin	acetate ester; organic heterotetracyclic compound; trichothecene	apoptosis inducer; cardiotoxic agent; DNA synthesis inhibitor; environmental contaminant; fungal metabolite; mycotoxin; neurotoxin	low
levetiracetam	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic	low
morphine	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic	low
naltrexone	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic	low
dextromethorphan	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic	low
kresoxim-methyl	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	low
pyrachlostrobin	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	low
cilastatin	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic	low
microcystin rr	microcystin; organic molecular entity	bacterial metabolite; environmental contaminant; xenobiotic	low
roxithromycin	roxithromycin	environmental contaminant; xenobiotic	low
neotame	dipeptide	environmental contaminant; sweetening agent; xenobiotic	low
flonicamid	nitrile; organofluorine compound; pyridinecarboxamide	environmental contaminant; insecticide; xenobiotic	low
microcystin-lf	microcystin	bacterial metabolite; environmental contaminant; xenobiotic	low
mephedrone	amphetamines; aromatic ketone; secondary amino compound	environmental contaminant; xenobiotic	low
imidacloprid	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	low
clothianidin	1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound	environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	low
clozapine	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic	low
imidacloprid	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	low
clothianidin	1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound	environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	low
octane	alkane	xenobiotic	low
2-nitropropane	secondary nitroalkane	carcinogenic agent; hepatotoxic agent; polar aprotic solvent; xenobiotic	low
dibenzofuran	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic	low
alprazolam	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic	low
antazoline	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic	low
chloral hydrate	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic	low
nitroglycerin	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic	low
pentamidine	aromatic 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	low
pioglitazone	aromatic 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	low
triclosan	aromatic 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	low
barbituric acid	barbiturates	allergen; xenobiotic	low
pseudoephedrine	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
3,4-dichloroaniline	dichloroaniline	epitope; xenobiotic	low
acetophenone	acetophenones	animal metabolite; photosensitizing agent; xenobiotic	low
phenylhydrazine	phenylhydrazines	xenobiotic	low
cyanuric acid	1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound	xenobiotic	low
propylene	alkene; gas molecular entity	refrigerant; xenobiotic	low
3-methylquinoline	methylquinoline	xenobiotic	low
1-indanol	aromatic alcohol; indanes; secondary alcohol	xenobiotic	low
perfluoro-n-nonanoic acid	fluoroalkanoic acid	persistent organic pollutant; surfactant; xenobiotic	low
nicotine	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic	low
arsenocholine	arsonium ion; organoarsenic compound	human urinary metabolite; marine metabolite; xenobiotic	low
2-ethyl-5-carboxypentyl phthalate	phthalic acid monoester	xenobiotic	low
carpropamid	amide fungicide; cyclopropylcarboxamide; monochlorobenzenes	antifungal agrochemical; EC 4.2.1.94 (scytalone dehydratase) inhibitor; melanin synthesis inhibitor; xenobiotic	low
troleandomycin	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic	low
lenticin	amino-acid betaine; indole alkaloid; L-tryptophan derivative	fungal metabolite; plant metabolite; xenobiotic	low
dieldrin	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic	low
decarbamylsaxitoxin	alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine	bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic	low
afidopyropen	cyclopropanecarboxylate ester; organic heterotetracyclic compound; pyridines; secondary alcohol	agrochemical; insecticide; TRPV channel modulator	low

Substance	Classes	Roles	Relationship Strength
pyridine	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound	low
lamotrigine	1,2,4-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	low
pantoprazole	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic	low
sulfapyridine	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic	low
metribuzin	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic	low
metamitron	1,2,4-triazines	environmental contaminant; herbicide; xenobiotic	low
nicosulfuron	N-sulfonylurea; pyridines; pyrimidines	environmental contaminant; herbicide; xenobiotic	low
dpx e9636	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic	low
pioglitazone	aromatic 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	low
afidopyropen	cyclopropanecarboxylate ester; organic heterotetracyclic compound; pyridines; secondary alcohol	agrochemical; insecticide; TRPV channel modulator	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2000's
prizes	1	carboxamidine; monochloropyridine; nitrile	environmental contaminant; neonicotinoid insectide; xenobiotic	2010	2010	14.0	low	1
thiamethoxam	1			2010	2010	14.0	low	1
imidacloprid	1	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	2010	2010	14.0	low	1

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2000's	2010's	post-2020
carbamates	2	amino-acid anion		2006	2019	11.5	low	1	1	0
formic acid	1	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent	2014	2014	10.0	low	0	1	0
niacinamide	4	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor	2009	2021	7.0	low	1	1	2
niacin	1	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent	2019	2019	5.0	low	0	1	0
acephate	1	mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor	2005	2005	19.0	low	1	0	0
chlorpyrifos	3	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	2005	2022	9.7	low	1	1	1
dichlorvos	1	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor	2020	2020	4.0	low	0	1	0
dimethoate	1	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	2006	2006	18.0	low	1	0	0
thiram	1	organic disulfide	antibacterial drug; antifungal agrochemical; antiseptic drug	2023	2023	1.0	low	0	0	1
sucrose	1	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent	2012	2012	12.0	low	0	1	0
thiophenes	1	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent	2014	2014	10.0	low	0	1	0
thiazoles	4	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene		2010	2021	8.8	low	1	2	1
pyridine-2-carboxaldehyde	1	pyridinecarbaldehyde		2023	2023	1.0	low	0	0	1
gold	1	copper group element atom; elemental gold		2023	2023	1.0	low	0	0	1
pirimicarb	2	aminopyrimidine; carbamate ester; tertiary amino compound	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	2006	2019	11.5	low	1	1	0
tricyclazole	1	triazolobenzothiazole	antifungal agrochemical; melanin synthesis inhibitor	2014	2014	10.0	low	0	1	0
buprofezin	2	thiadiazinane; ureas		2016	2017	7.5	low	0	2	0
triazoles	1	1,2,3-triazole		2022	2022	2.0	low	0	0	1
thifensulfuron methyl	1	1,3,5-triazines; methyl ester; N-sulfonylurea; thiophenes	agrochemical; environmental contaminant; herbicide; xenobiotic	2014	2014	10.0	low	0	1	0
tebuconazole	1	monochlorobenzenes; tertiary alcohol; triazoles		2022	2022	2.0	low	0	0	1
pyriproxyfen	1	aromatic ether; pyridines	juvenile hormone mimic	2009	2009	15.0	low	1	0	0
flufenoxuron	1	(trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes	mite growth regulator	2009	2009	15.0	low	1	0	0
thiamethoxam	2	1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane	antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic	2010	2016	11.0	low	1	1	0
prizes	1	carboxamidine; monochloropyridine; nitrile	environmental contaminant; neonicotinoid insectide; xenobiotic	2010	2010	14.0	low	1	0	0
laminaran	1			2010	2010	14.0	low	1	0	0
azadirachtin	2	acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol	hepatoprotective agent	2007	2009	16.0	low	2	0	0
cyhalothrin	1	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	2006	2006	18.0	low	1	0	0
flonicamid	4	nitrile; organofluorine compound; pyridinecarboxamide	environmental contaminant; insecticide; xenobiotic	2009	2021	7.0	medium	1	1	2
spiromesifen	1	butenolide	insecticide	2014	2014	10.0	low	0	1	0
medigoxin	3			2022	2023	1.3	low	0	0	3
dextrothyroxine	3			2007	2011	15.0	low	2	1	0
afidopyropen	1	cyclopropanecarboxylate ester; organic heterotetracyclic compound; pyridines; secondary alcohol	agrochemical; insecticide; TRPV channel modulator	2017	2017	7.0	low	0	1	0
pyrethrins	1			2006	2006	18.0	low	1	0	0
imidacloprid	11	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	2005	2021	11.3	medium	5	5	1
clothianidin	1	1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound	environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic	2021	2021	3.0	low	0	0	1

Condition	Studies	First Year	Last Year	Average Age	Relationship Strength	2000's	post-2020
Active Hyperemia	1	2023	2023	1.0	high	0	1
Anorexia	1	2010	2010	14.0	high	1	0
Hyperemia	1	2023	2023	1.0	high	0	1

Safety/Toxicity (5)

Article	Year
Controlled-release granules for the delivery of pymetrozine to roots of transplanted rice seedlings with decreased phytotoxicity and enhanced control efficacy against paddy planthoppers. Pest management science, , Volume: 78, Issue:2	2022
Residues, dissipation, and safety evaluation of pymetrozine-clothianidin mixture in strawberry. Environmental science and pollution research international, , Volume: 28, Issue:18	2021
Toxicity of three insecticides to Lysiphlebus fabarum, a parasitoid of the black bean aphid, Aphis fabae. Journal of insect science (Online), , Volume: 11	2011
Electrical penetration graph evidence that pymetrozine toxicity to the rice brown planthopper is by inhibition of phloem feeding. Pest management science, , Volume: 67, Issue:4	2011
The persistence toxicity of three insecticides against adult of a thelytokous parasitoid, Lysiphlebus fabarum (Hymenoptera: Aphidiidae). Communications in agricultural and applied biological sciences, , Volume: 74, Issue:1	2009

Dosage (6)

Article	Year
Dissipation kinetics and exposure of spirotetramat and pymetrozine in open fields, a prelude to risk assessment of green bean consumption. Environmental science and pollution research international, , Volume: 30, Issue:20	2023
Environmental monitoring and potential health risk assessment from Pymetrozine exposure among communities in typical rice-growing areas of China. Environmental science and pollution research international, , Volume: 29, Issue:39	2022
Dissipation and residue of pymetrozine in rice field ecosystem. Environmental monitoring and assessment, , Volume: 187, Issue:3	2015
The effect of pymetrozine (Plenum WG-50) on proboscis extension conditioning in honey bees (Apis mellifera: Hybrid var. Buckfast). Ecotoxicology and environmental safety, , Volume: 78	2012
Residues and dynamics of pymetrozine in rice field ecosystem. Chemosphere, , Volume: 82, Issue:6	2011
Kinetic study of the degradation of the insecticide pymetrozine in a vegetable-field ecosystem. Journal of hazardous materials, , May-30, Volume: 164, Issue:2-3	2009

pymetrozine

Description

Cross-References

Synonyms (46)

Roles (4)

Drug Classes (2)

Protein Targets (4)

Potency Measurements

Bioassays (22)

Research

Studies (68)

Study Types

Related Drugs (586)

Drugs in this Class (283)

Drugs with this Function (289)

Drugs in Same Class and Function (10)

Drugs Involved in Assays Together (3)

Drugs Researched Together (35)

Related Conditions (3)

Safety/Toxicity (5)

Dosage (6)