mequindox profile

Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	404291
CHEMBL ID	475335
SCHEMBL ID	10573865
MeSH ID	M0541504

Synonym
nsc720472
1-(3-methyl-1,4-dioxy-quinoxalin-2-yl)-ethanone
1-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethanone
SDCCGMLS-0023179.P002
2-methyl-3-acetyl-quinoxaline 1,4-dioxide
1-(3-methyl-1,4-dioxido-2-quinoxalinyl)ethanone
1-(3-methyl-1,4-dioxidoquinoxalin-2-yl)ethanone
STK368264
13297-17-1
smr000102938
MLS000105964
inchi=1/c11h10n2o3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6h,1-2h
nsc-720472
1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
mequindox
CHEMBL475335
AKOS000632000
2-acetyl-3-methyl-1,4-quinoxalinediiumdiolate
3-acetyl-2-methylquinoxaline-1,4-diium-1,4-bis(olate)
2-acetyl-3-methylquinoxaline-1,4-dioxide
HMS2396O06
2-acetyl-3-methylquinoxaline 1,4-dioxide
FT-0610953
AB00080754-01
AB00080754-13
2-acetyl-3-methylquinoxaline-1,4-diium-1,4-bis(olate)
4J-029
mfcd00113235
2-acetyl-3-methyl-quinoxaline-1,4-dioxide
cambridge id 5324085
CUJMCPPBTUATEJ-UHFFFAOYSA-N
2-acetyl-3-methylquinoxalinediium-1,4-diolate
SCHEMBL10573865
DTXSID50328049
2-acetyl-3-methyl-1-oxoquinoxalin-1-ium-4(1h)-olate
SR-01000397584-1
sr-01000397584
2-methyl-3-acetylquinoxaline 1,4-dioxide
NCGC00079270-02
HY-131102
BCP31278
CS-0128309
D96023
mequindox 100 microg/ml in acetonitrile
n,n-bis-(3-chloro-phenyl)-malonamide
2-acetyl-3-methylquinoxaline1,4-dioxide

Excerpt	Reference	Relevance
"Mequindox (Meq) is a promising broad-spectrum antibacterial agent, but the clinical application of Meq has been hampered by its low oral bioavailability. "	( Casein nanoparticles as oral delivery carriers of mequindox for the improved bioavailability. An, M; Chen, L; Fu, H; Liang, X; Lin, J; Lin, S; Peng, G; Shu, G; Wei, J; Yin, L; Yuan, Z; Zhang, L; Zhang, W; Zhao, L, 2020)	2.25
"Mequindox (MEQ) is a quinoxaline-N,N-dioxide antibiotic used in food-producing animals. "	( Pharmacokinetics of Mequindox and Its Marker Residue 1,4-Bisdesoxymequindox in Swine Following Multiple Oral Gavage and Intramuscular Administration: An Experimental Study Coupled with Population Physiologically Based Pharmacokinetic Modeling. Fang, B; Gehring, R; Li, M; Lin, Z; Riviere, JE; Zeng, D; Zeng, Z, 2017)	2.22
"Mequindox (MEQ) is a synthetic antibacterial agent. "	( Mequindox induces apoptosis, DNA damage, and carcinogenicity in Wistar rats. Fatima, Z; Gu, C; Guo, J; Lei, Z; Liu, Q; Maan, MK; Shabbir, MAB; Wang, X; Wu, Q; Xie, S; Yu, H; Yuan, Z; Zhou, K, 2019)	3.4
"Mequindox (MEQ) is a synthetic antimicrobial agent of quinoxaline-1,4-dioxide group (QdNOs). "	( Toxic metabolites, MAPK and Nrf2/Keap1 signaling pathways involved in oxidative toxicity in mice liver after chronic exposure to Mequindox. Awais, I; Dai, M; Huang, A; Lei, Z; Liu, Q; Wang, X; Wu, Q; Xie, S; Yuan, Z, 2017)	2.1
"Mequindox (MEQ) is a synthetic quinoxaline 1,4-dioxides (QdNOs) derivative which can effectively improve growth and feed efficiency in animals. "	( Long-term dose-dependent response of Mequindox on aldosterone, corticosterone and five steroidogenic enzyme mRNAs in the adrenal of male rats. Dai, MH; Huang, XJ; Ihsan, A; Su, SJ; Wang, X; Wang, YL; Xue, XJ; Yuan, ZH, 2009)	2.07
"Mequindox (MEQ) is a novel synthetic quinoxaline 1,4-dioxides antibacterial agent and growth promoter in animal husbandry. "	( Metabolites and JAK/STAT pathway were involved in the liver and spleen damage in male Wistar rats fed with mequindox. Huang, LL; Huang, XJ; Ihsan, A; Liu, Q; Liu, ZY; Wang, X; Xue, XJ; Yuan, ZH; Zhang, HF; Zhang, HH; Zhou, W, 2011)	2.03
"Mequindox (MEQ) is a synthetic antimicrobial chemical of quinoxaline 1, 4-dioxide group. "	( Long-term mequindox treatment induced endocrine and reproductive toxicity via oxidative stress in male Wistar rats. Huang, X; Ihsan, A; Li, T; Liu, Y; Liu, Z; Wang, X; Wang, Y; Yang, C; Yu, H; Yuan, Z; Zhang, H, 2011)	2.21
"Mequindox (MEQ) is a novel synthetic quinoxaline 1,4-dioxides derivative, which is widely used as a veterinary drug and animal feed additive. "	( Carbonyl reduction of mequindox by chicken and porcine cytosol and cloned carbonyl reductase 1. Deng, Y; Jiang, J; Mu, P; Tang, X; Wu, J; Zhang, C; Zheng, M, 2012)	2.14

Excerpt	Reference	Relevance
" The relatively new QdNOs, cyadox (CYA), mequindox (MEQ), quinocetone (QCT) and their metabolites, were selected for elucidation of their toxic mechanisms in H295R cells."	( High risk of adrenal toxicity of N1-desoxy quinoxaline 1,4-dioxide derivatives and the protection of oligomeric proanthocyanidins (OPC) in the inhibition of the expression of aldosterone synthetase in H295R cells. Chen, D; Cheng, G; Dai, M; Guo, P; Ihsan, A; Liu, Z; Luo, X; Wang, X; Yang, C; Yuan, Z, 2016)	0.7

Excerpt	Reference	Relevance
" Plasma concentration profiles were analyzed by a non-compartmental pharmacokinetic method."	( Pharmacokinetics of mequindox and one of its major metabolites in chickens after intravenous, intramuscular and oral administration. Ding, H; Li, Y; Liu, K; Liu, Y; Si, H; Yang, F; Zeng, D; Zeng, Z, 2012)	0.7
"Physiologically based pharmacokinetic (PBPK) models are scientific methods used to predict veterinary drug residues that may occur in food-producing animals, and which have powerful extrapolation ability."	( Physiologically based pharmacokinetic model for quinocetone in pigs and extrapolation to mequindox. Chen, D; Huang, L; Liu, Z; Pan, Y; Xie, S; Xu, Y; Yuan, Z; Zhu, X, 2017)	0.68
" The experimental data were used to construct a flow-limited physiologically based pharmacokinetic (PBPK) model."	( Pharmacokinetics of Mequindox and Its Marker Residue 1,4-Bisdesoxymequindox in Swine Following Multiple Oral Gavage and Intramuscular Administration: An Experimental Study Coupled with Population Physiologically Based Pharmacokinetic Modeling. Fang, B; Gehring, R; Li, M; Lin, Z; Riviere, JE; Zeng, D; Zeng, Z, 2017)	0.78

Excerpt	Reference	Relevance
"In this paper, a novel and hydrophilic functionalised material of olaquindox-imprinted polymer was synthesised in aqueous solution by a surface molecular imprinting in combination with a sol-gel process."	( Molecularly imprinted solid-phase extraction combined with high-performance liquid chromatography for analysis of trace olaquindox residues in chick feeds. Chen, H; Qiao, X; Song, J; Xu, Z; Zhang, Y; Zhao, D, 2011)	0.37

Excerpt	Reference	Relevance
" administration, the bioavailability of MEQ was 37."	( Pharmacokinetics of mequindox and its metabolites in rats after intravenous and oral administration. Ding, H; He, L; Li, G; Li, Y; Liu, Y; Shan, Q; Sun, N; Yang, F; Zeng, Z, 2012)	0.7

Excerpt	Relevance	Reference
" In this study, we delivered a single dose of mequindox to mice with dosage levels of 15, 75, and 350 mg/kg body weight and collected urine samples over a 7 day period, as well as plasma and liver tissues at 7 days postdose."	( Dynamic metabolic response of mice to acute mequindox exposure. Huang, C; Lei, H; Nie, X; Tang, H; Wang, Y; Zhao, XJ, 2011)	0.89
" In addition, mequindox dosage induces promotion of β-oxidation of fatty acids, which was confirmed by elevated expressions of acox1, hsd17b2, and cpt1a in liver."	( Systems responses of rats to mequindox revealed by metabolic and transcriptomic profiling. Hao, F; Huang, C; Lei, H; Rantalainen, M; Tang, H; Wang, Y; Zhao, XJ, 2012)	1.03
" We found that urinary metabolic profiles were significantly affected in all dosed groups during the supplementation period; plasma and hepatic metabolic profiles were significantly affected only in rats dosed with moderate and high levels of mequindox."	( Dynamic changes in metabolic profiles of rats subchronically exposed to mequindox. Huang, C; Jiang, L; Lei, H; Tang, H; Wang, Y; Zhao, X, 2014)	0.82

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	28.1838	0.1778	14.3909	39.8107	AID2147
TDP1 protein	Homo sapiens (human)	Potency	29.0929	0.0008	11.3822	44.6684	AID686979
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	25.1189	0.0355	20.9770	89.1251	AID504332
cellular tumor antigen p53 isoform a	Homo sapiens (human)	Potency	31.6228	0.3162	12.4435	31.6228	AID924
muscleblind-like protein 1 isoform 1	Homo sapiens (human)	Potency	15.8489	0.0041	9.9625	28.1838	AID2675
Integrin beta-3	Homo sapiens (human)	Potency	31.6228	0.3162	11.4157	31.6228	AID924
Integrin alpha-IIb	Homo sapiens (human)	Potency	31.6228	0.3162	11.4157	31.6228	AID924
TAR DNA-binding protein 43	Homo sapiens (human)	Potency	17.7828	1.7783	16.2081	35.4813	AID652104
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
negative regulation of low-density lipoprotein receptor activity	Integrin beta-3	Homo sapiens (human)
positive regulation of protein phosphorylation	Integrin beta-3	Homo sapiens (human)
positive regulation of endothelial cell proliferation	Integrin beta-3	Homo sapiens (human)
positive regulation of cell-matrix adhesion	Integrin beta-3	Homo sapiens (human)
cell-substrate junction assembly	Integrin beta-3	Homo sapiens (human)
cell adhesion	Integrin beta-3	Homo sapiens (human)
cell-matrix adhesion	Integrin beta-3	Homo sapiens (human)
integrin-mediated signaling pathway	Integrin beta-3	Homo sapiens (human)
embryo implantation	Integrin beta-3	Homo sapiens (human)
blood coagulation	Integrin beta-3	Homo sapiens (human)
positive regulation of endothelial cell migration	Integrin beta-3	Homo sapiens (human)
positive regulation of gene expression	Integrin beta-3	Homo sapiens (human)
negative regulation of macrophage derived foam cell differentiation	Integrin beta-3	Homo sapiens (human)
positive regulation of fibroblast migration	Integrin beta-3	Homo sapiens (human)
negative regulation of lipid storage	Integrin beta-3	Homo sapiens (human)
response to activity	Integrin beta-3	Homo sapiens (human)
smooth muscle cell migration	Integrin beta-3	Homo sapiens (human)
positive regulation of smooth muscle cell migration	Integrin beta-3	Homo sapiens (human)
platelet activation	Integrin beta-3	Homo sapiens (human)
positive regulation of vascular endothelial growth factor receptor signaling pathway	Integrin beta-3	Homo sapiens (human)
cell-substrate adhesion	Integrin beta-3	Homo sapiens (human)
activation of protein kinase activity	Integrin beta-3	Homo sapiens (human)
negative regulation of lipid transport	Integrin beta-3	Homo sapiens (human)
regulation of protein localization	Integrin beta-3	Homo sapiens (human)
regulation of actin cytoskeleton organization	Integrin beta-3	Homo sapiens (human)
cell adhesion mediated by integrin	Integrin beta-3	Homo sapiens (human)
positive regulation of cell adhesion mediated by integrin	Integrin beta-3	Homo sapiens (human)
positive regulation of osteoblast proliferation	Integrin beta-3	Homo sapiens (human)
heterotypic cell-cell adhesion	Integrin beta-3	Homo sapiens (human)
substrate adhesion-dependent cell spreading	Integrin beta-3	Homo sapiens (human)
tube development	Integrin beta-3	Homo sapiens (human)
wound healing, spreading of epidermal cells	Integrin beta-3	Homo sapiens (human)
cellular response to platelet-derived growth factor stimulus	Integrin beta-3	Homo sapiens (human)
apolipoprotein A-I-mediated signaling pathway	Integrin beta-3	Homo sapiens (human)
wound healing	Integrin beta-3	Homo sapiens (human)
apoptotic cell clearance	Integrin beta-3	Homo sapiens (human)
regulation of bone resorption	Integrin beta-3	Homo sapiens (human)
positive regulation of angiogenesis	Integrin beta-3	Homo sapiens (human)
positive regulation of bone resorption	Integrin beta-3	Homo sapiens (human)
symbiont entry into host cell	Integrin beta-3	Homo sapiens (human)
platelet-derived growth factor receptor signaling pathway	Integrin beta-3	Homo sapiens (human)
positive regulation of fibroblast proliferation	Integrin beta-3	Homo sapiens (human)
mesodermal cell differentiation	Integrin beta-3	Homo sapiens (human)
positive regulation of smooth muscle cell proliferation	Integrin beta-3	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Integrin beta-3	Homo sapiens (human)
negative regulation of lipoprotein metabolic process	Integrin beta-3	Homo sapiens (human)
negative chemotaxis	Integrin beta-3	Homo sapiens (human)
regulation of release of sequestered calcium ion into cytosol	Integrin beta-3	Homo sapiens (human)
regulation of serotonin uptake	Integrin beta-3	Homo sapiens (human)
angiogenesis involved in wound healing	Integrin beta-3	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Integrin beta-3	Homo sapiens (human)
platelet aggregation	Integrin beta-3	Homo sapiens (human)
cellular response to mechanical stimulus	Integrin beta-3	Homo sapiens (human)
cellular response to xenobiotic stimulus	Integrin beta-3	Homo sapiens (human)
positive regulation of glomerular mesangial cell proliferation	Integrin beta-3	Homo sapiens (human)
blood coagulation, fibrin clot formation	Integrin beta-3	Homo sapiens (human)
maintenance of postsynaptic specialization structure	Integrin beta-3	Homo sapiens (human)
regulation of postsynaptic neurotransmitter receptor internalization	Integrin beta-3	Homo sapiens (human)
regulation of postsynaptic neurotransmitter receptor diffusion trapping	Integrin beta-3	Homo sapiens (human)
positive regulation of substrate adhesion-dependent cell spreading	Integrin beta-3	Homo sapiens (human)
positive regulation of adenylate cyclase-inhibiting opioid receptor signaling pathway	Integrin beta-3	Homo sapiens (human)
regulation of trophoblast cell migration	Integrin beta-3	Homo sapiens (human)
regulation of extracellular matrix organization	Integrin beta-3	Homo sapiens (human)
cellular response to insulin-like growth factor stimulus	Integrin beta-3	Homo sapiens (human)
negative regulation of endothelial cell apoptotic process	Integrin beta-3	Homo sapiens (human)
positive regulation of T cell migration	Integrin beta-3	Homo sapiens (human)
cell migration	Integrin beta-3	Homo sapiens (human)
positive regulation of leukocyte migration	Integrin alpha-IIb	Homo sapiens (human)
cell-matrix adhesion	Integrin alpha-IIb	Homo sapiens (human)
integrin-mediated signaling pathway	Integrin alpha-IIb	Homo sapiens (human)
angiogenesis	Integrin alpha-IIb	Homo sapiens (human)
cell-cell adhesion	Integrin alpha-IIb	Homo sapiens (human)
cell adhesion mediated by integrin	Integrin alpha-IIb	Homo sapiens (human)
negative regulation of protein phosphorylation	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA processing	TAR DNA-binding protein 43	Homo sapiens (human)
RNA splicing	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of protein stability	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of insulin secretion	TAR DNA-binding protein 43	Homo sapiens (human)
response to endoplasmic reticulum stress	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of protein import into nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of circadian rhythm	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of apoptotic process	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation by host of viral transcription	TAR DNA-binding protein 43	Homo sapiens (human)
rhythmic process	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of cell cycle	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA destabilization	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA stabilization	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear inner membrane organization	TAR DNA-binding protein 43	Homo sapiens (human)
amyloid fibril formation	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
fibroblast growth factor binding	Integrin beta-3	Homo sapiens (human)
C-X3-C chemokine binding	Integrin beta-3	Homo sapiens (human)
insulin-like growth factor I binding	Integrin beta-3	Homo sapiens (human)
neuregulin binding	Integrin beta-3	Homo sapiens (human)
virus receptor activity	Integrin beta-3	Homo sapiens (human)
fibronectin binding	Integrin beta-3	Homo sapiens (human)
protease binding	Integrin beta-3	Homo sapiens (human)
protein disulfide isomerase activity	Integrin beta-3	Homo sapiens (human)
protein kinase C binding	Integrin beta-3	Homo sapiens (human)
platelet-derived growth factor receptor binding	Integrin beta-3	Homo sapiens (human)
integrin binding	Integrin beta-3	Homo sapiens (human)
protein binding	Integrin beta-3	Homo sapiens (human)
coreceptor activity	Integrin beta-3	Homo sapiens (human)
enzyme binding	Integrin beta-3	Homo sapiens (human)
identical protein binding	Integrin beta-3	Homo sapiens (human)
vascular endothelial growth factor receptor 2 binding	Integrin beta-3	Homo sapiens (human)
metal ion binding	Integrin beta-3	Homo sapiens (human)
cell adhesion molecule binding	Integrin beta-3	Homo sapiens (human)
extracellular matrix binding	Integrin beta-3	Homo sapiens (human)
fibrinogen binding	Integrin beta-3	Homo sapiens (human)
protein binding	Integrin alpha-IIb	Homo sapiens (human)
identical protein binding	Integrin alpha-IIb	Homo sapiens (human)
metal ion binding	Integrin alpha-IIb	Homo sapiens (human)
extracellular matrix binding	Integrin alpha-IIb	Homo sapiens (human)
molecular adaptor activity	Integrin alpha-IIb	Homo sapiens (human)
fibrinogen binding	Integrin alpha-IIb	Homo sapiens (human)
integrin binding	Integrin alpha-IIb	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
double-stranded DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
RNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA 3'-UTR binding	TAR DNA-binding protein 43	Homo sapiens (human)
protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
lipid binding	TAR DNA-binding protein 43	Homo sapiens (human)
identical protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
pre-mRNA intronic binding	TAR DNA-binding protein 43	Homo sapiens (human)
molecular condensate scaffold activity	TAR DNA-binding protein 43	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
glutamatergic synapse	Integrin beta-3	Homo sapiens (human)
nucleus	Integrin beta-3	Homo sapiens (human)
nucleoplasm	Integrin beta-3	Homo sapiens (human)
plasma membrane	Integrin beta-3	Homo sapiens (human)
cell-cell junction	Integrin beta-3	Homo sapiens (human)
focal adhesion	Integrin beta-3	Homo sapiens (human)
external side of plasma membrane	Integrin beta-3	Homo sapiens (human)
cell surface	Integrin beta-3	Homo sapiens (human)
apical plasma membrane	Integrin beta-3	Homo sapiens (human)
platelet alpha granule membrane	Integrin beta-3	Homo sapiens (human)
lamellipodium membrane	Integrin beta-3	Homo sapiens (human)
filopodium membrane	Integrin beta-3	Homo sapiens (human)
microvillus membrane	Integrin beta-3	Homo sapiens (human)
ruffle membrane	Integrin beta-3	Homo sapiens (human)
integrin alphav-beta3 complex	Integrin beta-3	Homo sapiens (human)
melanosome	Integrin beta-3	Homo sapiens (human)
synapse	Integrin beta-3	Homo sapiens (human)
postsynaptic membrane	Integrin beta-3	Homo sapiens (human)
extracellular exosome	Integrin beta-3	Homo sapiens (human)
integrin alphaIIb-beta3 complex	Integrin beta-3	Homo sapiens (human)
glycinergic synapse	Integrin beta-3	Homo sapiens (human)
integrin complex	Integrin beta-3	Homo sapiens (human)
protein-containing complex	Integrin beta-3	Homo sapiens (human)
alphav-beta3 integrin-PKCalpha complex	Integrin beta-3	Homo sapiens (human)
alphav-beta3 integrin-IGF-1-IGF1R complex	Integrin beta-3	Homo sapiens (human)
alphav-beta3 integrin-HMGB1 complex	Integrin beta-3	Homo sapiens (human)
receptor complex	Integrin beta-3	Homo sapiens (human)
alphav-beta3 integrin-vitronectin complex	Integrin beta-3	Homo sapiens (human)
alpha9-beta1 integrin-ADAM8 complex	Integrin beta-3	Homo sapiens (human)
focal adhesion	Integrin beta-3	Homo sapiens (human)
cell surface	Integrin beta-3	Homo sapiens (human)
synapse	Integrin beta-3	Homo sapiens (human)
plasma membrane	Integrin alpha-IIb	Homo sapiens (human)
focal adhesion	Integrin alpha-IIb	Homo sapiens (human)
cell surface	Integrin alpha-IIb	Homo sapiens (human)
platelet alpha granule membrane	Integrin alpha-IIb	Homo sapiens (human)
extracellular exosome	Integrin alpha-IIb	Homo sapiens (human)
integrin alphaIIb-beta3 complex	Integrin alpha-IIb	Homo sapiens (human)
blood microparticle	Integrin alpha-IIb	Homo sapiens (human)
integrin complex	Integrin alpha-IIb	Homo sapiens (human)
external side of plasma membrane	Integrin alpha-IIb	Homo sapiens (human)
intracellular non-membrane-bounded organelle	TAR DNA-binding protein 43	Homo sapiens (human)
nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
perichromatin fibrils	TAR DNA-binding protein 43	Homo sapiens (human)
mitochondrion	TAR DNA-binding protein 43	Homo sapiens (human)
cytoplasmic stress granule	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear speck	TAR DNA-binding protein 43	Homo sapiens (human)
interchromatin granule	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
chromatin	TAR DNA-binding protein 43	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID585422	Antimicrobial activity against oqxAB positive Escherichia coli C600 W245-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID1640019	Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent	2018	Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419	Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID1640018	Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent	2018	Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419	Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID585420	Antimicrobial activity against oqxAB positive Escherichia coli C600 W191-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID398100	Cytotoxicity against human HSC3 cells after 48 hrs	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID585433	Antimicrobial activity against Escherichia coli DH5[alpha] by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID398092	Reversal of P-glycoprotein-mediated multidrug resistance in human MDR1 gene transfected mouse L5178Y cells assessed as fluorescence activity ratio at 20 uM by rhodamine 123 accumulation assay	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID585418	Antimicrobial activity against Escherichia coli C600 by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID585423	Antimicrobial activity against oqxAB positive Escherichia coli C600 G262-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID585421	Antimicrobial activity against oqxAB positive Escherichia coli C600 W322-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID398101	Cytotoxicity against human HSC4 cells after 48 hrs	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID398093	Reversal of P-glycoprotein-mediated multidrug resistance in human MDR1 gene transfected mouse L5178Y cells assessed as fluorescence activity ratio at 200 uM by rhodamine 123 accumulation assay	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID585428	Antimicrobial activity against oqxAB positive Escherichia coli C600 SW8-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID585426	Antimicrobial activity against oqxAB positive Escherichia coli C600 X1B1-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID585419	Antimicrobial activity against oqxAB positive Escherichia coli C600 W281-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID1781012	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as inhibition of bacterial growth measured after 5 days by microplate alamar blue assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Discovery of novel nitrogenous heterocyclic-containing quinoxaline-1,4-di-N-oxides as potent activator of autophagy in M.tb-infected macrophages.
AID398098	Cytotoxicity against human HL60 cells after 48 hrs	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID398099	Cytotoxicity against human HSC2 cells after 48 hrs	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID585425	Antimicrobial activity against oqxAB positive Escherichia coli C600 G375-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID515221	Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by microplate alamar blue assay	2010	European journal of medicinal chemistry, Oct, Volume: 45, Issue:10	E-2-[3-(3,4-dichlorophenyl)-1-oxo-2-propenyl]-3-methylquinoxaline-1,4-dioxide: a lead antitubercular agent which alters mitochondrial respiration in rat liver.
AID398095	Cytotoxicity against human HGF cells after 48 hrs	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID585432	Antimicrobial activity against oqxAB positive Escherichia coli DH5[alpha] harboring pMD18-T::oqxAB by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID398097	Cytotoxicity against human HPLF cells after 48 hrs	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID398096	Cytotoxicity against human HPC cells after 48 hrs	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID1545170	Half life in intramuscularly dosed goat	2019	Bioorganic & medicinal chemistry, 01-01, Volume: 27, Issue:1	An insight into medicinal chemistry of anticancer quinoxalines.
AID585431	Antimicrobial activity against oqxAB positive Escherichia coli C600 D83-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID597209	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as growth inhibition at 25 uM after 5 days relative to control	2011	Journal of medicinal chemistry, May-26, Volume: 54, Issue:10	3-Trifluoromethylquinoxaline N,N'-dioxides as anti-trypanosomatid agents. Identification of optimal anti-T. cruzi agents and mechanism of action studies.
AID585430	Antimicrobial activity against oqxAB positive Escherichia coli C600 SP8-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID585424	Antimicrobial activity against oqxAB positive Escherichia coli C600 G062-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID398090	Growth inhibition of human Molt4/C8 cells after 3 days	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID1188122	Primary phase half life in im dosed goat	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Present status of quinoxaline motifs: excellent pathfinders in therapeutic medicine.
AID398091	Growth inhibition of human CEM cells after 3 days	2009	Bioorganic & medicinal chemistry, Jun-01, Volume: 17, Issue:11	2-(3-Aryl-2-propenoyl)-3-methylquinoxaline-1,4-dioxides: a novel cluster of tumor-specific cytotoxins which reverse multidrug resistance.
AID585427	Antimicrobial activity against oqxAB positive Escherichia coli C600 XT11-T transconjugant by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID1545180	Acute toxicity in po dosed Wistar rat measured up to 14 days	2019	Bioorganic & medicinal chemistry, 01-01, Volume: 27, Issue:1	An insight into medicinal chemistry of anticancer quinoxalines.
AID515223	Induction of rat liver mitochondria respiration assessed as consumption of oxygen at 1 to 10 uM by polarography	2010	European journal of medicinal chemistry, Oct, Volume: 45, Issue:10	E-2-[3-(3,4-dichlorophenyl)-1-oxo-2-propenyl]-3-methylquinoxaline-1,4-dioxide: a lead antitubercular agent which alters mitochondrial respiration in rat liver.
AID585429	Antimicrobial activity against Escherichia coli C600 ST2-T transconjugant harboring oqxAB, qnrB6 and aac(6')-Ib-cr genes by CLSI agar dilution method	2010	Antimicrobial agents and chemotherapy, Oct, Volume: 54, Issue:10	Prevalence and dissemination of oqxAB in Escherichia coli isolates from animals, farmworkers, and the environment.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1159537	qHTS screening for TAG (triacylglycerol) accumulators in algae	2017	Plant physiology, Aug, Volume: 174, Issue:4	Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	3 (6.25)	29.6817
2010's	41 (85.42)	24.3611
2020's	4 (8.33)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	1 (2.04%)	5.53%
Reviews	3 (6.12%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	45 (91.84%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
levoplast Levoplast: mixture of acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (R-(R,R))-, castor oil, celluloidin, collodion & tannins	2.15	1	0	C-nitro compound
hippuric acid hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl.	2.5	2	0	N-acylglycine	human blood serum metabolite; uremic toxin
glycine [no description available]	2.06	1	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	2.07	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
trimethyloxamine trimethyloxamine: used in manufacture of quaternary ammonium cpds; insect attractant; warming agent for gas; oxidant; structure. trimethylamine N-oxide : A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine.	2.06	1	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
trimethylamine [no description available]	2.06	1	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.	2.15	1	0	xanthine	Saccharomyces cerevisiae metabolite
atrolactic acid atrolactic acid: see also 3-isomer; RN given refers to parent cpd without isomeric designation; structure	2.15	1	0	2-hydroxy monocarboxylic acid
etofylline etofylline: etophyllin appeared once in PubMed: Wien Med Wochenschr. 1986 May 15;136(9):213-8 as a combination drug with theophylline (spelt without e, theophllin)	2.15	1	0	oxopurine
n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan.	2.15	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
acridone acridone : A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9.	2.17	1	0	acridines; cyclic ketone
ethacridine Ethacridine: A topically applied anti-infective agent.	2.57	2	0	acridines
altretamine Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine.	2.15	1	0	triamino-1,3,5-triazine
amiodarone Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.. amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.	2.17	1	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
2,5-di-tert-butylhydroquinone 2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5.	2.15	1	0	hydroquinones
ym 58483 [no description available]	2.17	1	0
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	2.05	1	0	aromatic ether; nitrile; polyether; tertiary amino compound
camphor, (+-)-isomer [no description available]	2.17	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	2.17	1	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	2.05	1	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cx546 1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source	2.15	1	0
diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.	2.15	1	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.	2.15	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
carbonyl cyanide p-trifluoromethoxyphenylhydrazone Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.. carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group.	2.17	1	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	2.06	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.15	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ipriflavone ipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women.	2.15	1	0	aromatic ether; isoflavones	bone density conservation agent
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	2.15	1	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
nocodazole [no description available]	2.15	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
nalidixic acid [no description available]	2.05	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
norfloxacin Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.	2.05	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	2.17	1	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.17	1	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
piribedil Piribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist.	2.15	1	0	N-arylpiperazine
procainamide Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.	2.15	1	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prometone prometone: structure. prometon : A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group.	2.15	1	0	diamino-1,3,5-triazine; methoxy-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
propanil Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat.	2.15	1	0	anilide; dichlorobenzene	herbicide
sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.	2.15	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfameter Sulfameter: Long acting sulfonamide used in leprosy, urinary, and respiratory tract infections.. sulfamethoxydiazine : A sulfonamide consisting of pyrimidine having a methoxy substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 2-position.	2.1	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethazine Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.	2.15	1	0	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
sulfaquinoxaline Sulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis.	2.1	1	0	benzenes; sulfonamide
sulfathiazole Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.	2.15	1	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.	2.17	1	0	diarylmethane
testosterone [no description available]	2.15	1	0	3-hydroxy steroid	androgen
corticosterone [no description available]	7.05	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
2-hydroxybenzylbenzimidazole 2-hydroxybenzylbenzimidazole: RN given refers to cpd without isomeric designation	2.15	1	0
aldosterone [no description available]	2.76	3	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	2.05	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
etimizol Etimizol: A xanthine-related, putative nootropic drug.	2.15	1	0
ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.	2.05	1	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
nifenalol nifenalol: adrenergic beta-blocker with good antiarrhythmic properties; also tends to lower blood pressure & provide protection against angina; minor descriptor (75-86); on-line & INDEX MEDICUS search ETHANOLAMINES (75-86); RN given refers to parent cpd without isomeric designation	2.15	1	0	C-nitro compound
ethane Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms.	2.07	1	0	alkane; gas molecular entity	plant metabolite; refrigerant
1,1,2,2-tetrachloroethane 1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2.	2.07	1	0	chloroethanes
bis(4-hydroxyphenyl)sulfone bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.	2.15	1	0	bisphenol; sulfone	endocrine disruptor; metabolite
8-hydroxyquinoline-5-sulfonic acid 8-hydroxyquinoline-5-sulfonic acid: RN given refers to parent cpd	2.15	1	0
salicylanilide salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.	2.15	1	0	benzanilide fungicide; salicylamides; salicylanilides
2-phenylbutyric acid 2-phenylbutyric acid : A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2.	2.15	1	0	benzenes; monocarboxylic acid	human xenobiotic metabolite
4,4'-dimethoxybenzophenone 4,4'-dimethoxybenzophenone: structure in first source	2.15	1	0
quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.	7.41	33	1	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
6-phenyl-1,3,5-triazine-2,4-diamine 6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source	2.15	1	0
quinaldic acid [no description available]	2.15	1	0	quinolinemonocarboxylic acid	human metabolite; Saccharomyces cerevisiae metabolite
N-(2-methoxyphenyl)acetamide [no description available]	2.15	1	0	acetamides; methoxybenzenes
fast red b Fast Red B: structure in first source. fast red B : An organosulfonate salt composed from 2-methoxy-4-nitrobenzene-1-diazonium and 5-sulfonaphthalene-1-sulfonate in a 1:1 ratio. Used for demostrating enterochromaffin in carcinoid tumours.	2.15	1	0
methylenebis(chloroaniline) Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.. 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge.	2.15	1	0	chloroaniline	metabolite
n-isopropyl-n-phenyl-4-phenylenediamine N-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group.	2.17	1	0	N-substituted diamine	allergen; antioxidant
di-(4-aminophenyl)ether di-(4-aminophenyl)ether: structure	2.15	1	0	aromatic ether
diphenylguanidine diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd. 1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry.	2.15	1	0	guanidines	allergen
4-Anilino-4-oxobutanoic acid [no description available]	2.15	1	0	anilide
mephobarbital Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.	2.15	1	0	barbiturates	anticonvulsant
etryptamine etryptamine: RN given refers to cpd without isomeric designation	2.15	1	0	indoles
sulfacetamide [no description available]	2.15	1	0
3-amino-9-ethylcarbazole 3-amino-9-ethylcarbazole: RN given refers to parent cpd	2.17	1	0	carbazoles
cinchophen cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94	2.15	1	0	quinolines
2-aminobenzothiazole [no description available]	2.15	1	0	benzothiazoles
carzenide [no description available]	2.15	1	0	sulfonamide
nitrilotriacetic acid Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)	2.15	1	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
n-(2-cyanoethyl)-2-phenylethylamine N-(2-cyanoethyl)-2-phenylethylamine: prodrug of 2-phenylethylamine	2.15	1	0
cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.	2.17	1	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
cyclooctane [no description available]	2.15	1	0
triphenyltetrazolium chloride 2,3,5-triphenyltetrazolium chloride : An organic chloride salt having 2,3,5-triphenyltetrazolium as the counterion.	2.15	1	0	organic chloride salt	dye; indicator
2,7-diacetylaminofluorene 2,7-diacetylaminofluorene: has been found to induce leukemia in animals; minor descriptor (75-84); on-line search 2-ACETYLAMINOFLUORENE/AA (75-84); Index Medicus search 2-ACETYLAMINOFLUORENE/AA (80-82), FLUORENES (75-79)	2.15	1	0
3,4-pyridinedicarboxylic acid 3,4-pyridinedicarboxylic acid: structure in first source	2.15	1	0	pyridinedicarboxylic acid
4-(benzoylamino)-2-hydroxybenzoic acid 4-(benzoylamino)-2-hydroxybenzoic acid: Bepask is calcium salt	2.15	1	0	benzamides
tropic acid tropic acid: acid moiety of ester alkaloids hyoscyamine & scopolamine; RN given refers to parent cpd with unspecified isomeric designation; structure. tropic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group.	2.15	1	0	3-hydroxy monocarboxylic acid	human xenobiotic metabolite
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	2.75	3	0	dialdehyde	biomarker
8-hydroxy-7-iodo-5-quinolinesulfonic acid 8-hydroxy-7-iodo-5-quinolinesulfonic acid: used with iodine isotopes in radioisotope scanning; structure	2.15	1	0	hydroxyquinoline
gentian violet Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.	2.06	1	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
1-acetylisatin 1-acetylisatin: structure in first source	2.15	1	0	indoledione
4-cumylphenol [no description available]	2.15	1	0	diarylmethane
5-methylisatin 5-methylisatin: structure in first source	2.15	1	0
2-hydrazinobenzothiazole [no description available]	2.15	1	0
1,2,3-trimethoxybenzene 1,2,3-trimethoxybenzene : A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively.	2.15	1	0	methoxybenzenes	plant metabolite
2-amino-5-chlorobenzophenone 2-amino-5-chlorbenzophenone: structure given in first source	2.15	1	0
diphenamid diphenamid: do not confuse with anti-inflammatory agent difenpiramide; structure	2.15	1	0	diarylmethane
4-(4-nitrobenzyl)pyridine [no description available]	2.15	1	0
5-methyl-3-phenylisoxazole-4-carboxylic acid 5-methyl-3-phenylisoxazole-4-carboxylic acid: has anti-tumor, antiviral, hypoglycemic, antifungal and anti-HIV activities; structure in first source	2.15	1	0
2-acetylbenzofuran 2-acetylbenzofuran: structure in first source	2.15	1	0
pyrazon pyrazon: structure; do not confuse with phenazone which is a synonym to antipyrine. chloridazon : A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2.	2.15	1	0	benzenes; organochlorine compound; primary amino compound; pyridazinone	environmental contaminant; herbicide; xenobiotic
2-amino-5-nitrobenzophenone 2-amino-5-nitrobenzophenone: urinary metabolite of nitrazepam	2.15	1	0
(4-tert-Butyl-phenoxy)-acetic acid [no description available]	2.15	1	0	monocarboxylic acid
2,4,6-trichlorophenyl 4-nitrophenyl ether 2,4,6-trichlorophenyl 4-nitrophenyl ether: structure	2.17	1	0	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
lenacil lenacil: Russian drug. herbicide : A substance used to destroy plant pests.. lenacil : A cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3.	2.15	1	0	cyclopentapyrimidine	agrochemical; environmental contaminant; herbicide; xenobiotic
chlordesmethyldiazepam [no description available]	2.15	1	0	benzodiazepine
2-amino-2',5-dichlorobenzophenone 2-amino-2',5-dichlorobenzophenone: structure given in first source	2.15	1	0
2-(2'-hydroxyphenyl)benzimidazole 2-(2'-hydroxyphenyl)benzimidazole: structure in first source	2.15	1	0
4-phthalimidobutyric acid 4-phthalimidobutyric acid: teratogen; RN given refers to parent cpd	2.15	1	0
azabutyrone azabutyrone: Russian drug; RN given refers to parent cpd; structure	2.15	1	0
2-(2-hydroxyphenyl)benzothiazole 2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2.	2.15	1	0	benzothiazoles; phenols	geroprotector
4,5-dichlorocatechol [no description available]	2.15	1	0
n-butylbenzenesulfonamide N-butylbenzenesulfonamide: a neurotoxic plasticising agent. N-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity.	2.15	1	0	sulfonamide	neurotoxin; plant metabolite
3-phenoxybenzoic acid 3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides.	2.15	1	0	phenoxybenzoic acid	human xenobiotic metabolite; marine xenobiotic metabolite
streptomycin [no description available]	2.05	1	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
2-(2-hydroxyethylmercapto)benzothiazole 2-(2-hydroxyethylmercapto)benzothiazole: reaction product of 2-mercaptobenzothiazole, well-known rubber vulcanization accelerator; structure in first source	2.15	1	0
carboxin Carboxin: A systemic agricultural fungicide and seed treatment agent.. carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment.	2.15	1	0	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
meturin [no description available]	2.15	1	0
2-bromo-N-phenylbenzamide [no description available]	2.15	1	0	benzamides
4-chlorohippuric acid 4-chlorohippuric acid: metabolite of zomepirac; RN given refers to parent cpd	2.15	1	0
4-chlorophenoxyacetic acid 4-chlorophenoxyacetic acid: RN given refers to parent cpd; structure. (4-chlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4.	2.15	1	0	chlorophenoxyacetic acid; monochlorobenzenes	phenoxy herbicide
2,5-dichloro-1,4-phenylenediamine 2,5-dichloro-1,4-phenylenediamine: structure in first source	2.15	1	0
metribuzin metribuzin : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3.	2.15	1	0	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic
benzonidazole benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.	2.06	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
2,5-dimethyl-3-furancarboxanilide 2,5-dimethyl-3-furancarboxanilide: structure	2.15	1	0
moricizine hydrochloride moricizine hydrochloride : A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride.	2.15	1	0	hydrochloride	anti-arrhythmia drug
2-benzimidazolylguanidine 2-benzimidazolylguanidine: effects chloride efflux in tissue; RN given refers to parent cpd	2.15	1	0	aminoimidazole
diflubenzuron Diflubenzuron: An insect growth regulator which interferes with the formation of the insect cuticle. It is effective in the control of mosquitoes and flies.. diflubenzuron : A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group.	2.15	1	0	benzoylurea insecticide; monochlorobenzenes	insect sterilant
pentafluorobenzoyl-n-phenylethylamine [no description available]	2.15	1	0
2-phenylthiazolidine-4-carboxylic acid 2-phenylthiazolidine-4-carboxylic acid: RN given refers to cpd without isomeric designation	2.17	1	0
thidiazuron [no description available]	2.15	1	0	ureas
phenthiazamine phenthiazamine: RN given refers to parent cpd	2.15	1	0
5,5-diphenylbarbituric acid 5,5-diphenylbarbituric acid: RN given refers to parent cpd	2.15	1	0
3-acetamidobenzoic acid N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source	2.15	1	0
dazoxiben hydrochloride [no description available]	2.15	1	0
succinylsulfanilamide [no description available]	2.15	1	0
benzylaminopurine benzylaminopurine: a plant growth regulator. N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.	2.15	1	0	6-aminopurines	cytokinin; plant metabolite
ciprofloxacin hydrochloride anhydrous [no description available]	2.15	1	0	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
src-820 r [no description available]	2.15	1	0
n(4)-acetylsulfadiazine N(4)-acetylsulfadiazine: main metabolite of sulfadiazine. N(4)-acetylsulfadiazine : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine.	2.15	1	0	acetamides; pyrimidines; sulfonamide	marine xenobiotic metabolite
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone 4-nitro-alpha-acetylamino-beta-hydroxypropiophenone: inhibitory agent for the differentiation of mammalian tuberculosis strains from other Mycobacteria	2.15	1	0
formetamide formetamide: RN given refers to cpd with unspecified isomeric designation	2.15	1	0
isbufylline isbufylline: RN from Toxlit	2.15	1	0
benz(cd)indol-2(1h)-one benz(cd)indol-2(1H)-one: structure in first source	2.17	1	0
tetraphenylcyclopentadienone tetraphenylcyclopentadienone: singlet oxygen trapping agent	2.17	1	0	stilbenoid
phenylacetylglycine phenylacetylglycine : A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group.	2.5	2	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
N-benzoylanthranilic acid N-benzoylanthranilic acid : An amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position.	2.15	1	0	amidobenzoic acid
butinoline [no description available]	2.15	1	0	diarylmethane
n-(2-carboxyphenyl)glycine [no description available]	2.15	1	0
n,n-dimethyl-4-anisidine [no description available]	2.15	1	0
n-benzoylpiperidine [no description available]	2.15	1	0	benzamides; N-acylpiperidine
2-phenylcyclopropanecarboxylic acid 2-phenylcyclopropanecarboxylic acid: RN given for (trans)-isomer; structure in first source	2.15	1	0
n-demethylantipyrine [no description available]	2.15	1	0	pyrazoles; ring assembly
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine [no description available]	2.57	2	0	1,2,4-triazines
2-amino-5-bromopyridine [no description available]	2.15	1	0
n-benzoylalanine, (dl-ala)-isomer [no description available]	2.15	1	0	alanine derivative; N-acyl-amino acid	metabolite
bicinchoninic acid [no description available]	2.15	1	0
enrofloxacin Enrofloxacin: A fluoroquinolone antibacterial and antimycoplasma agent that is used in veterinary practice.. enrofloxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets.	2.05	1	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
betamipron [no description available]	2.15	1	0	organonitrogen compound; organooxygen compound
olaquindox olaquindox: used in prevention of swine dysentary; growth promoting additive in pig feed; structure	9.27	5	0	quinoxaline derivative
quindoxin quindoxin: RN given refers to parent cpd; structure in Negwer, 5th ed, #702	2.13	1	0	quinoxaline derivative
honokiol [no description available]	2.17	1	0	biphenyls
bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.	2.17	1	0	benzenes; phenanthrolines	chelator
2-phenyl-4,5-dichloro-3-pyridazinone [no description available]	2.17	1	0
benzoylpropionic acid benzoylpropionic acid: structure in first source. 4-oxo-4-phenylbutyric acid : A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4.	2.15	1	0	4-oxo monocarboxylic acid	hapten
Evoxine [no description available]	2.15	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source	2.15	1	0	harmala alkaloid
n-benzylmaleimide [no description available]	2.17	1	0
N-Benzylphthalimide [no description available]	2.15	1	0	isoindoles
pyromellitic diimide pyromellitic diimide: RN given refers to parent cpd	2.15	1	0
4'-bromosalicylanilide 4'-bromosalicylanilide: photoproduct from UV-irradiation of tribromsalan; structure	2.15	1	0
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane: methoxychlor metabolite	2.15	1	0	bisphenol
phenylglycine nitrile phenylglycine nitrile: structure in first source	2.17	1	0
terephthalamide [no description available]	2.15	1	0	benzenedicarboxamide
4,5-dimethyl-1,2-phenylenediamine 4,5-dimethyl-1,2-phenylenediamine: RN given refers to parent cpd	2.17	1	0
3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl- [no description available]	2.15	1	0
2-nitrophenylacetic acid (2-nitrophenyl)acetic acid : A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the ortho- position by a nitro group.	2.15	1	0	C-nitro compound; phenylacetic acids
onychine [no description available]	2.15	1	0
4'-methoxyflavone 4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source	2.15	1	0	ether; flavonoids
1,3-diphenyl-2-aminopropane 1,3-diphenyl-2-aminopropane: structure given in the first source	2.15	1	0
2,2-diphenylpropionic acid 2,2-diphenylpropionic acid: RN given refers to parent cpd	2.15	1	0
3,4-dimethoxyphenylacetamide 3,4-dimethoxyphenylacetamide: structure	2.15	1	0
2-amino-5-bromobenzoic acid 2-amino-5-bromobenzoic acid: structure in first source	2.15	1	0
2-(1H-benzimidazol-2-yl)aniline 2-(1H-benzimidazol-2-yl)aniline : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a 2-aminophenyl group at position 2.	2.15	1	0	benzimidazoles; primary arylamine; substituted aniline	geroprotector
N-Acetylhomoveratrylamine [no description available]	2.15	1	0	acetamides
2-chlorobenzenesulfonamide [no description available]	2.15	1	0
4-nitrophenyl dimethylcarbamate [no description available]	2.15	1	0
8-(4-tolylsulfonylamino)quinoline 8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source	2.15	1	0	sulfonamide
5-methoxyindole-3-carbaldehyde [no description available]	2.15	1	0	indoles
2-oxo-1,2-dihydroquinoline-4-carboxylic acid [no description available]	2.15	1	0	quinolinemonocarboxylic acid
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one [no description available]	2.15	1	0	beta-carbolines
pd 147953 [no description available]	2.15	1	0
fenozan fenozan: do not confuse with the phenothiazine phenosan	2.15	1	0
5-phenylbarbituric acid 5-phenylbarbituric acid: RN given refers to parent cpd	2.15	1	0
diethylpropion hydrochloride diethylpropion hydrochloride : The hydrochloride salt of diethylpropion. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as an anoretic in the short term management of obesity.	2.15	1	0	hydrochloride	appetite depressant
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol: chloramphenicol minus dichloroacetamide side chain; RN given refers to cpd without isomeric designation	2.15	1	0
beta-hydroxyphenylalanine beta-hydroxyphenylalanine: RN given refers to beta cpd	2.15	1	0
3-(n-salicyloyl)amino-1,2,4-triazole 3-(N-salicyloyl)amino-1,2,4-triazole: synthetic chelating agent used chiefly to inhibit corrosion of copper	2.15	1	0
7-chloro-4-aminoquinoline 7-chloro-4-aminoquinoline: structure given in first source	2.15	1	0	aminoquinoline
acridine-9-carboxylic acid [no description available]	2.15	1	0
1-phenazinecarboxylic acid 1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source. phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group.	2.15	1	0	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite
4,5-diphenyl-1,5-dihydroimidazol-2-one [no description available]	2.15	1	0	stilbenoid
2-hydroxy-1,2-bis(methoxyphenyl)ethanone 2-hydroxy-1,2-bis(methoxyphenyl)ethanone: structure given in first source	2.15	1	0
mmv665852 MMV665852: an antischistosomal agent	2.17	1	0
4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available]	2.15	1	0	sulfonamide
4-n-butylaminobenzoic acid 4-n-butylaminobenzoic acid: degradation product of tetracaine. 4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group.	2.15	1	0	aromatic amino acid
fluoren-9-ol [no description available]	2.15	1	0
1-(2-carboxyethyl)uracil [no description available]	2.15	1	0
1-benzylindole 1-benzylindole: structure	2.15	1	0
2,3-bis(2-pyridinyl)quinoxaline [no description available]	2.15	1	0	quinoxaline derivative
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'.	2.15	1	0	dichlorobenzene; hydroxybiphenyls
5-nitro-2-(1-piperidinyl)pyridine [no description available]	2.15	1	0	C-nitro compound
2-amino-5,7-dimethyl-1,8-naphthyridine 2-amino-5,7-dimethyl-1,8-naphthyridine: structure in first source	2.15	1	0
n-(2-methoxyphenyl)maleimide N-(2-methoxyphenyl)maleimide: structure given in first source	2.17	1	0
5-benzyloxytryptophan [no description available]	2.15	1	0
2,5-diethoxy-4-morpholinoaniline 2,5-diethoxy-4-morpholinoaniline: structure in first source	2.15	1	0
3-hydroxy-3-phenacyloxindole [no description available]	2.15	1	0
carbobenzoxyphenylalanine, (dl-phe)-isomer [no description available]	2.15	1	0
procyanidin Proanthocyanidins: Dimers and oligomers of flavan-3-ol units (CATECHIN analogs) linked mainly through C4 to C8 bonds to leucoanthocyanidins. They are structurally similar to ANTHOCYANINS but are the result of a different fork in biosynthetic pathways.	2.13	1	0	proanthocyanidin
gamma-fagarine gamma-fagarine: active alkaloid of Chinese medicines from Dictamni radicis cortex (Rutaceae); structure given in first source	2.15	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
2-aminoperimidine 2-aminoperimidine: inhibits bacterial NhaA Na/H+ antiporters; structure in first source	2.17	1	0
florfenicol florfenicol: structure given in first source. florfenicol : A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture.	2.05	1	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
3-carboxymethyl-6-benzyl-2,5-diketopiperazine 3-carboxymethyl-6-benzyl-2,5-diketopiperazine: formed in aqueous solution by aspartame; structure given in first source	2.15	1	0	organonitrogen compound; organooxygen compound
4-fluorobenzenesulfonamide 4-fluorobenzenesulfonamide: structure given in first source	2.15	1	0
emoxypine succinate emoxypine succinate: has antihypoxic effects	2.15	1	0
n-carbamyltryptophan N-carbamyltryptophan: RN given refers to (D)-isomer	2.15	1	0
2,4,6-trimethoxyacetophenone 2,4,6-trimethoxyacetophenone: structure in first source	2.15	1	0
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole 1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source	2.15	1	0
4-methyoxybenzoyl-n-glycine [no description available]	2.15	1	0	N-acylglycine
5-ethoxy-2-ethylmercaptobenzimidazole 5-ethoxy-2-ethylmercaptobenzimidazole: has activating effect on peritoneal macrophages; RN given does not give position for ethoxy group	2.15	1	0
5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester [no description available]	2.15	1	0
n-phenyliminodiacetic acid [no description available]	2.15	1	0
1,3-bis(3-chlorophenyl)urea [no description available]	2.17	1	0	ureas
teomorfolin teomorfolin: structure given in first source	2.15	1	0
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone [no description available]	2.15	1	0	benzodioxoles
n-(aminocarbonyl)-2-chlorobenzenesulfonamide [no description available]	2.15	1	0
3-hydroxy-2-quinoxalinepropionic acid [no description available]	2.15	1	0
8-(methylsulfonylamino)quinoline 8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source	2.15	1	0
n(4)-acetylsulfamonomethoxine N(4)-acetylsulfamonomethoxine: main urinary metabolite of sulfamonomethoxine in pigs	2.15	1	0
2-phenyl-4-oxohydroquinoline 2-phenyl-4-oxohydroquinoline: structure given in first source	2.17	1	0
8-(4-benzenesulfonylamino)quinoline 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source	2.15	1	0
methindione methindione: used in treatment of epilepsy; RN given refers to parent cpd; structure	2.15	1	0
3,4-dihydroxybenzophenone 3,4-dihydroxybenzophenone: structure in first source	2.15	1	0
gamma-propanol [no description available]	2.15	1	0
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile [no description available]	2.15	1	0	benzenes; nitrile
isonicotinylamide gaba [no description available]	2.15	1	0
5-fluorotryptamine monohydrochloride [no description available]	2.15	1	0
4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide 4-iodo-N-(2-(4-morpholinyl)ethyl)benzamide: the iodinated analog of moclobemide; structure given in first source	2.15	1	0
3-(hydroxyacetyl)indole 3-(hydroxyacetyl)indole: structure in first source	2.15	1	0	indoles
n-(4-aminophenylsulfonyl)morpholine compound 82 208: structure given in first source	2.15	1	0
1H-indol-3-yl-(4-methoxyphenyl)methanone [no description available]	2.15	1	0	N-acylindole
2-amino-5-phenyl-1,3,4-thiadiazole 2-amino-5-phenyl-1,3,4-thiadiazole: structure in first source	2.15	1	0
N-(1-phenylethyl)acetamide N-(1-phenylethyl)acetamide : A member of the class of acetamides resulting from the formal condensation of the amino group of 1-phenylethylamine with 1 mol eq. of acetic acid.	2.15	1	0	acetamides; secondary carboxamide
alpha-(trichloromethyl)-4-pyridineethanol alpha-(trichloromethyl)-4-pyridineethanol: activates caspase-3	2.15	1	0	pyridines
ml 204 ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source	2.15	1	0
eudesmin eudesmin: RN refers to (1R-(1alpha,3aalpha,4alpha,6aalpha))-isomer; structure given in first source; very similar to pinoresinol	2.15	1	0
2-amino-4-methyl-3-nitropyridine [no description available]	2.15	1	0
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline: Anticonvulsant	2.15	1	0
2-chloro-3-(4-methylanilino)naphthalene-1,4-dione [no description available]	2.17	1	0	1,4-naphthoquinones
n-acetylhistidine [no description available]	2.15	1	0	histidine derivative; N-acetyl-amino acid
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid [no description available]	2.15	1	0	acetamides
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea [no description available]	2.15	1	0	ureas
4-methoxyxanthone 4-methoxyxanthone: a vasodilator; structure in first source	2.15	1	0
N-(4-nitrophenyl)-2-phenoxyacetamide [no description available]	2.15	1	0	C-nitro compound
1-phenylindolin-2-one 1-phenylindolin-2-one: structure in first source	2.15	1	0
1-(benzenesulfonyl)indole [no description available]	2.15	1	0	sulfonamide
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile [no description available]	2.15	1	0	dihydropyridine
pifithrin mu 2-phenylacetylenesulfonamide: induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia cells; also inhibits Hsp70 and autophagy	2.15	1	0	benzenes
2-benzyloxybenzaldehyde [no description available]	2.15	1	0
2-guanidine-4-methylquinazoline 2-guanidine-4-methylquinazoline: structure given in first source	2.15	1	0
N-phenylcarbamic acid 2-phenoxyethyl ester [no description available]	2.15	1	0	carbamate ester
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol [no description available]	2.15	1	0	benzimidazoles
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide [no description available]	2.15	1	0	diarylmethane
2H-pyrazolo[4,3-b]quinoxalin-3-amine [no description available]	3.31	1	0	quinoxaline derivative
Girgensonine [no description available]	2.15	1	0	nitrile
Dubinidine [no description available]	2.15	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
N-[4-(methanesulfonamido)phenyl]acetamide [no description available]	2.15	1	0	sulfonamide
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	2.05	1	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
4-(2-oxazolo[4,5-b]pyridinyl)aniline [no description available]	2.15	1	0	1,3-oxazoles
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole [no description available]	2.15	1	0	benzoxazole
3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium [no description available]	2.15	1	0	pyridazines
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone [no description available]	2.15	1	0	substituted aniline
1-phenyl-4-pyrazolol [no description available]	2.15	1	0	pyrazoles; ring assembly
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide [no description available]	2.15	1	0	benzothiazoles
3-benzamido-2-benzofurancarboxamide [no description available]	2.15	1	0	benzofurans
N-[2-(4-methoxyphenyl)ethyl]acetamide [no description available]	2.15	1	0	acetamides
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide [no description available]	2.15	1	0	aromatic ether
2-(1H-indol-3-ylthio)acetic acid [no description available]	2.15	1	0	indoles
1,3-bis(3,5-dichlorophenyl)urea 1,3-bis(3,5-dichlorophenyl)urea: COH - City of Hope; has antineoplastic activity	2.17	1	0
3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide [no description available]	2.15	1	0	carbonyl compound; organohalogen compound
3-Methylbenzofuran-2-carboxylic acid [no description available]	2.15	1	0	benzofurans
5-(3,4-dimethoxyphenyl)-2H-tetrazole [no description available]	2.15	1	0	tetrazoles
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine [no description available]	2.15	1	0	piperazines
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol [no description available]	2.15	1	0	alkylbenzene
2-phenylindole-3-carbaldehyde 2-phenylindole-3-carbaldehyde: structure in first source	2.15	1	0
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine [no description available]	2.15	1	0	aryl sulfide
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine [no description available]	2.15	1	0	C-nitro compound
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline [no description available]	2.15	1	0	pyrimidines
7-methoxyisoflavone 7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7.	2.15	1	0	7-methoxyisoflavones
LSM-32392 [no description available]	2.15	1	0	monoterpenoid
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide [no description available]	2.15	1	0	benzamides
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol [no description available]	2.15	1	0	benzimidazoles
N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide [no description available]	2.15	1	0	sulfonamide
3-acetamido-5-chloro-2-benzofurancarboxylic acid [no description available]	2.15	1	0	benzofurans
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone [no description available]	2.15	1	0	dimethoxybenzene
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine [no description available]	2.15	1	0	N-arylpiperazine
haplamine haplamine: isolated from Haplophyllum acutifolium; structure in first source	2.15	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine [no description available]	2.15	1	0	triazoles
2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide [no description available]	2.15	1	0	benzamides
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone [no description available]	2.15	1	0	aromatic ketone
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid [no description available]	2.15	1	0	quinolines
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and pyrrolidin-1-yl groups, respectively.	2.15	1	0	pyridines; pyrrolidines; quinazolines
dienestrol Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.	2.17	1	0
scp 1 [no description available]	2.15	1	0
N-(3-acetamidophenyl)-4-methoxybenzamide [no description available]	2.15	1	0	benzamides
N-(3-acetamidophenyl)-3-chlorobenzamide [no description available]	2.15	1	0	benzamides
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide [no description available]	2.15	1	0	benzamides
N-(2-fluorophenyl)-4-phenylmethoxybenzamide [no description available]	2.15	1	0	benzamides
N-[4-(diethylamino)phenyl]-2-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
N-(2-furanylmethyl)-2-benzofurancarboxamide [no description available]	2.15	1	0	benzofurans
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine [no description available]	2.15	1	0	aromatic amine; thiadiazoles
te 5 [no description available]	2.15	1	0
2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide [no description available]	2.15	1	0	ureas
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine [no description available]	2.15	1	0	benzothiazoles
6-methylflavone 6-methylflavone: structure in first source	2.15	1	0
2-methoxy-N-(2-pyridinyl)benzamide [no description available]	2.15	1	0	benzamides
2-chloro-N-(2-phenylethyl)benzamide [no description available]	2.15	1	0	carbonyl compound; organohalogen compound
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide [no description available]	2.15	1	0	C-nitro compound
N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide [no description available]	2.15	1	0	carbonyl compound; organohalogen compound
tioxazafen tioxazafen : A 1,2,4-oxadizole in which the hydrogens at positions 3 and 5 have been replaced by phenyl and thiophen-2-yl groups, respectively. It is used as a broad spectrum nematicidal seed treatment.	2.15	1	0	1,2,4-oxadiazole; thiophenes	agrochemical; nematicide
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide [no description available]	2.15	1	0	aromatic amide
1-(4-Methoxyphenyl)-2-nitroethylene 4-methoxy-beta-nitrostyrene: has vasodilator activity; structure in first source	2.15	1	0	methoxybenzenes
brd32048 BRD32048: inhibits ETV1 oncoprotein; structure in first source	2.15	1	0	methoxybenzenes; substituted aniline
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide [no description available]	2.15	1	0	aromatic ether
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine [no description available]	2.15	1	0	imidazoles
5-(2-phenyl-4-triazolyl)-2H-tetrazole [no description available]	2.15	1	0	triazoles
N-cyclohexyl-2,3-dihydroindole-1-carboxamide [no description available]	2.15	1	0	indolyl carboxylic acid
cinnamoylglycine cinnamoylglycine: structure given in first source. N-cinnamoylglycine : An N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl).	2.17	1	0	N-acylglycine	metabolite
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine : A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group.	2.15	1	0	aryl sulfide; benzenes; thienopyrimidine
2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone [no description available]	2.15	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide [no description available]	2.15	1	0	indolecarboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide [no description available]	2.15	1	0	benzamides
4-(1H-benzimidazol-2-yl)quinoline [no description available]	2.15	1	0	quinolines
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one [no description available]	2.15	1	0	aromatic ketone
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
N-(4-methoxyphenyl)-2-benzofurancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
2-(9h-xanthen-9-yl)-malonic acid [no description available]	2.15	1	0	xanthenes
4-(4-ethoxyphenyl)-4-oxobutanoic acid [no description available]	2.17	1	0	aromatic ketone
1-(1,3-benzothiazol-2-yl)-3-phenylurea [no description available]	2.15	1	0	ureas
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one [no description available]	2.15	1	0	imidazoles
N-(4-acetamidophenyl)-2-bromobenzamide [no description available]	2.15	1	0	benzamides
4-bromo-N-phenacylbenzamide [no description available]	2.15	1	0	aromatic ketone
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone [no description available]	2.15	1	0	indoles
N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide [no description available]	2.15	1	0	triazoles
N,N-dimethyl-N'-p-tolylsulfamide N,N-dimethyl-N'-p-tolylsulfamide : A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid.	2.15	1	0	sulfamides	marine xenobiotic metabolite
2-(1-piperidinylmethyl)phenol 2-(1-piperidinylmethyl)phenol: structure in first source	2.15	1	0
2,6-bis(benzimidazol-2-yl)pyridine 2,6-bis(benzimidazol-2-yl)pyridine: structure in first source	2.15	1	0	benzimidazoles
1-cyclohexyl-3-(2-phenylethyl)urea [no description available]	2.15	1	0	benzenes
1-(3,5-dichlorophenyl)-3-phenylurea [no description available]	2.15	1	0	ureas
1-(cyclohexylmethyl)-4-phenylpiperazine [no description available]	2.15	1	0	piperazines
N-phenethyl-2-furamide [no description available]	2.15	1	0	aromatic amide; heteroarene
paromomycin sulfate [no description available]	2.15	1	0
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide [no description available]	2.15	1	0	benzimidazoles
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine [no description available]	2.15	1	0	aralkylamine
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide [no description available]	2.15	1	0	monoterpenoid
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile [no description available]	2.15	1	0	nitrile; pyridines
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide [no description available]	2.15	1	0	benzamides
vu0099704 VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source	2.15	1	0
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available]	2.15	1	0	pyrazoles; ring assembly
1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline [no description available]	2.15	1	0	triazoles
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide [no description available]	2.15	1	0	pyrroloquinoline
2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole [no description available]	2.15	1	0	aryl sulfide
5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile VRX-413638: structure in first source	2.15	1	0
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone [no description available]	2.15	1	0	aromatic ketone
2-fluoro-N-phenacylbenzamide [no description available]	2.15	1	0	aromatic ketone
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile [no description available]	2.15	1	0	nitrile; pyridines
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone [no description available]	2.15	1	0	carbonyl compound; thiol
GS4012 free base GS4012 free base : A member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group.	2.15	1	0	aryl sulfide; monomethoxybenzene; pyridines	VEGF activator
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide [no description available]	2.15	1	0	benzimidazoles
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone [no description available]	2.15	1	0	aromatic ketone
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide : An amino acid amide obtained by the formal condensation of 2,6-dimethylaniline with N-(3,5-dimethylphenyl)glycine.	2.15	1	0	amino acid amide; glycine derivative
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine [no description available]	2.15	1	0	N-arylpiperazine
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine [no description available]	2.15	1	0	piperazines
4-Piperidinobenzoic acid [no description available]	2.15	1	0	piperidines
1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine [no description available]	2.15	1	0	piperazines
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide [no description available]	2.15	1	0	pyrroloquinoline
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine [no description available]	2.15	1	0	benzimidazoles
4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide [no description available]	2.15	1	0	sulfonamide
N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide [no description available]	2.15	1	0	benzodioxine
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: an SK channel inhibitor	2.15	1	0
8-(3,5-dimethyl-1-pyrazolyl)quinoline [no description available]	2.15	1	0	quinolines
2'-nitroflavone 2'-nitroflavone: has antineoplastic activity	2.15	1	0
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine [no description available]	2.15	1	0	aminoquinoline
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one [no description available]	2.15	1	0	aromatic compound
vrt 532 VRT 532: a CFTR potentiator; structure in first source	2.15	1	0
4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol [no description available]	2.15	1	0	piperazines
1-piperonylpiperidine 1-piperonylpiperidine: an AMPA receptor modulator; structure in first source	2.15	1	0
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol [no description available]	2.15	1	0	aromatic amine
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol [no description available]	2.15	1	0	aromatic amine
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available]	2.15	1	0	pyrazolopyrimidine
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide [no description available]	2.15	1	0	benzamides
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide [no description available]	2.15	1	0	imidazoles
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole [no description available]	2.15	1	0	aryl sulfide
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine [no description available]	2.15	1	0	benzoxazole
1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea [no description available]	2.15	1	0	ureas
2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid [no description available]	2.15	1	0	N-acylglycine
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone [no description available]	2.15	1	0	aromatic ketone
N-(3-acetamidophenyl)-2-chlorobenzamide [no description available]	2.15	1	0	benzamides
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine [no description available]	2.15	1	0	dialkylarylamine; tertiary amino compound
2-bromo-N-(3-methoxyphenyl)benzamide [no description available]	2.15	1	0	benzamides
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol [no description available]	2.15	1	0	aromatic ether; C-nitro compound
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid [no description available]	2.15	1	0	aromatic amide; furans
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea [no description available]	2.15	1	0	quinoxaline derivative
2-(dimethylsulfamoylamino)-9H-fluorene [no description available]	2.15	1	0	fluorenes
4-chloro-1-ethyl-3-nitro-2-quinolinone [no description available]	2.15	1	0	nitro compound; quinolines
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone [no description available]	2.15	1	0	quinolines
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde [no description available]	2.15	1	0	arenecarbaldehyde
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone [no description available]	2.15	1	0	stilbenoid
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide [no description available]	2.15	1	0	aromatic amide
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide [no description available]	2.15	1	0	triazoles
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide [no description available]	2.15	1	0	anilide
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide [no description available]	2.15	1	0	organofluorine compound
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide [no description available]	2.15	1	0	phthalazines
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide [no description available]	2.15	1	0	phthalimides
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline [no description available]	2.15	1	0	quinolines
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone [no description available]	2.15	1	0	stilbenoid
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole [no description available]	2.15	1	0	oxadiazole; ring assembly
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole [no description available]	2.15	1	0	pyridines
2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione [no description available]	2.15	1	0	phthalimides
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) [no description available]	2.15	1	0	benzimidazoles
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide [no description available]	2.15	1	0	carbazoles
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide [no description available]	2.15	1	0	primary carboxamide; pyrazines; secondary carboxamide
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide [no description available]	2.15	1	0	benzodioxoles
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea [no description available]	2.15	1	0	benzodioxine
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline [no description available]	2.15	1	0	aryl sulfide
1-[2-(2-chlorophenoxy)ethyl]benzimidazole [no description available]	2.15	1	0	benzimidazoles
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one [no description available]	2.15	1	0	C-nitro compound
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide [no description available]	2.15	1	0	sulfonamide
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone [no description available]	2.15	1	0	aromatic ketone
3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine [no description available]	2.15	1	0	triazolopyridazine
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide [no description available]	2.15	1	0	aromatic ketone
oncrasin-1 oncrasin-1: an antineoplastic agent; structure in first source. oncrasin-1 : A member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations.	2.15	1	0	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide [no description available]	2.15	1	0	C-nitro compound
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde [no description available]	2.15	1	0	benzimidazoles
N-(4-anilinophenyl)-2-methylpropanamide [no description available]	2.15	1	0	anilide
N-(2-fluorophenyl)-3-phenylpropanamide [no description available]	2.15	1	0	anilide
1-[(Phenylthio)acetyl]piperidine [no description available]	2.15	1	0	N-acylpiperidine
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole [no description available]	2.15	1	0	oxadiazole; ring assembly
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid [no description available]	2.15	1	0	trihydroxybenzoic acid
4-(4-morpholinylmethyl)-3-quinolinol [no description available]	2.15	1	0	quinolines
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide [no description available]	2.15	1	0	benzamides
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione [no description available]	2.15	1	0	naphthofuran
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide [no description available]	2.15	1	0	aromatic amide; heteroarene
1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone [no description available]	2.15	1	0	benzamides
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone [no description available]	2.15	1	0	aromatic ketone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide [no description available]	2.15	1	0	acetamides
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide [no description available]	2.15	1	0	benzamides
1-propylsulfonyl-4-(2-pyridinyl)piperazine [no description available]	2.15	1	0	piperazines; pyridines
2-(2-phenylethylthio)-3-pyridinecarboxylic acid [no description available]	2.15	1	0	aromatic carboxylic acid; pyridines
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide [no description available]	2.15	1	0	aromatic ether
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide [no description available]	2.15	1	0	benzamides
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide [no description available]	2.15	1	0	thiazoles
1-cyclohexyl-3-(3-ethylphenyl)urea [no description available]	2.15	1	0	ureas
n-phenylpiracetam N-phenylpiracetam: structure given in first source	2.15	1	0
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide [no description available]	2.15	1	0	biphenyls
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide [no description available]	2.15	1	0	benzamides
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide [no description available]	2.15	1	0	isoquinolines
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid [no description available]	2.15	1	0	benzamides
1,4-bis(thiophen-2-ylsulfonyl)piperazine [no description available]	2.15	1	0	N-sulfonylpiperazine; thiophenes
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide [no description available]	2.15	1	0	benzamides
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine [no description available]	2.15	1	0	piperazines
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source	2.15	1	0
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone [no description available]	2.15	1	0	quinazolines
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea [no description available]	2.15	1	0	morpholines
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate : A sulfonamide in which the nitrogen carries methyl and 2-[4-(ethoxycarbonyl)piperazin-1-yl]-2-oxoethyl substituents and the sulfonyl a 4-chlorophenyl group.	2.15	1	0	carbamate ester; sulfonamide
LSM-4563 [no description available]	2.15	1	0	aromatic ketone
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine [no description available]	2.15	1	0	piperazines
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available]	2.17	1	0	pyrazoles; ring assembly
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide [no description available]	2.15	1	0	sulfonamide
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide [no description available]	2.15	1	0	sulfonamide
1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine [no description available]	2.15	1	0	sulfonamide
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide [no description available]	2.15	1	0	sulfonamide
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline [no description available]	2.15	1	0	piperazines; pyridines
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone [no description available]	2.15	1	0	quinolines
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine [no description available]	2.15	1	0	tetrazoles
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide [no description available]	2.15	1	0	1,3-oxazoles
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone [no description available]	2.15	1	0	piperazines; pyridines
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol [no description available]	2.15	1	0	thiazolopyrimidine
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-thiophenecarboxamide [no description available]	2.17	1	0	aromatic amide
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid [no description available]	2.15	1	0	aromatic amide
3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid [no description available]	2.15	1	0	benzamides
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide [no description available]	2.15	1	0	acetamides
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid [no description available]	2.15	1	0	methoxybenzoic acid
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide [no description available]	2.15	1	0	sulfonamide
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide [no description available]	2.15	1	0	aromatic amide
N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide [no description available]	2.15	1	0	benzamides
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione [no description available]	2.15	1	0	aromatic ketone
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide [no description available]	2.15	1	0	sulfonamide
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide [no description available]	2.15	1	0	sulfonamide
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide [no description available]	2.15	1	0	benzamides
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide [no description available]	2.15	1	0	benzamides
stk295900 [no description available]	2.15	1	0
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine [no description available]	2.15	1	0	piperazines
2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide [no description available]	2.15	1	0	pyridazines; ring assembly
1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea [no description available]	2.15	1	0	ureas
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide [no description available]	2.15	1	0	methoxybenzenes
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine [no description available]	2.15	1	0	phthalazines
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide [no description available]	2.17	1	0	benzamides
3-(4-morpholinyl)-4-(2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1-pyrazolecarboxamide [no description available]	2.17	1	0	pyrazolopyridine
SMER 28 SMER 28 : A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy.	2.15	1	0	organobromine compound; quinazolines; secondary amino compound	autophagy inducer
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester [no description available]	2.15	1	0	morpholines
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone [no description available]	2.15	1	0	aromatic ether
4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone [no description available]	2.15	1	0	N-acylpiperidine
N-(3-phenylpropyl)methanesulfonamide [no description available]	2.15	1	0	benzenes
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indole [no description available]	2.17	1	0	sulfonamide
4-[2-[(2,6-dimethoxyphenyl)-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester [no description available]	2.17	1	0	methoxybenzoic acid
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available]	2.17	1	0	benzimidazoles
4-acetamido-N-(2-methoxyethyl)benzamide [no description available]	2.15	1	0	amidobenzoic acid
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone [no description available]	2.15	1	0	quinolines
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine [no description available]	2.15	1	0	aromatic ether
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone [no description available]	2.15	1	0	aralkylamine
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.15	1	0	piperazinecarboxylic acid
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid [no description available]	2.15	1	0	benzamides
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene [no description available]	2.15	1	0	methoxybenzenes
N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide [no description available]	2.15	1	0	sulfonamide
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine [no description available]	2.15	1	0	aromatic ether
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide [no description available]	2.15	1	0	biphenyls
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source	2.15	1	0
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester [no description available]	2.17	1	0	aromatic ether
2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available]	2.17	1	0	benzoxazole
3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole [no description available]	2.17	1	0	tetralins
6-hydroxy-4-methyl-2-phenyl-2,3-dihydropyridazin-3-one [no description available]	2.17	1	0	pyridazinone
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea 1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea : An member of the class of phenylureas that is urea having 4-chlorophenyl and 4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl groups attached at positions 1 and 3 respectively.	2.17	1	0	1,3-thiazoles; monochlorobenzenes; phenylureas; thiophenes
N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide [no description available]	2.17	1	0	carbonyl compound; organohalogen compound
bi-78d3 [no description available]	2.17	1	0	aryl sulfide
2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol [no description available]	2.15	1	0	nitrophenol
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine [no description available]	2.15	1	0	quinazolines
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one [no description available]	2.15	1	0	aromatic ketone
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide N-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide: activates the plant defense response; structure in first source. tiadinil : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-methyl-1,2,3-thiadiazole-5-carboxylic acid with the amino group of 3-chloro-4-methylaniline. It is a fungicide used particularly for the control of fungal diseases in rice.	2.17	1	0	anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles	antifungal agrochemical
N'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide [no description available]	2.17	1	0	(trifluoromethyl)benzenes
2-amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrile [no description available]	2.17	1	0	phenylpyridine
2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridine [no description available]	2.17	1	0	aryl sulfide
8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester [no description available]	2.17	1	0	thiophenecarboxylic acid
1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea [no description available]	2.17	1	0	ureas
Methyl(2-furoylamino)acetic acid [no description available]	2.15	1	0	N-acyl-amino acid
5-nitro-8-(1-pyrrolidinyl)quinoline [no description available]	2.15	1	0	nitro compound; quinolines
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide [no description available]	2.15	1	0	amino acid amide
2-[(4-methylphenyl)sulfonylamino]pentanoic acid [no description available]	2.15	1	0	sulfonamide
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine 4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine: an mTOR activator; structure in first source	2.15	1	0
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide [no description available]	2.15	1	0	piperidines
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone [no description available]	2.15	1	0	acetamides
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile [no description available]	2.15	1	0	methoxybenzenes
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione [no description available]	2.15	1	0	pyrrolidines
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione [no description available]	2.15	1	0	pyrrolidines
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine [no description available]	2.15	1	0	dialkylarylamine; tertiary amino compound
(3,5-Dimethyl-1-adamantyl)amine nitrate [no description available]	2.15	1	0	nitrates
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol [no description available]	2.15	1	0	alkylbenzene
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine [no description available]	2.15	1	0	N-alkylpyrrolidine
4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine [no description available]	2.15	1	0	aralkylamine
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide [no description available]	2.15	1	0	aromatic amide
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid [no description available]	2.15	1	0	anilide
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide [no description available]	2.15	1	0	aromatic amide
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide [no description available]	2.15	1	0	monoterpenoid
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide [no description available]	2.15	1	0	carbonyl compound; organohalogen compound
2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid [no description available]	2.15	1	0	benzodioxine
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol [no description available]	2.15	1	0	aromatic compound
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile [no description available]	2.15	1	0	pyrrolidines
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol [no description available]	2.15	1	0	methoxybenzenes
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile [no description available]	2.15	1	0	organochlorine compound; pyranopyrazole
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol [no description available]	2.15	1	0	benzimidazoles
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide [no description available]	2.15	1	0	hydroxyquinoline
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide [no description available]	2.15	1	0	aromatic amide; furans
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile [no description available]	2.15	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione [no description available]	2.15	1	0	pyrrolidines
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid [no description available]	2.15	1	0	anilide
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid [no description available]	2.15	1	0	organosulfur heterocyclic compound
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone [no description available]	2.15	1	0	aromatic amide; thiophenes
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone [no description available]	2.15	1	0	piperazines
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide [no description available]	2.15	1	0	aromatic amide; heteroarene
4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine [no description available]	2.15	1	0	piperazines
5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline [no description available]	2.15	1	0	piperazines
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide [no description available]	2.15	1	0	benzothiazoles
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide [no description available]	2.15	1	0	nitro compound; quinolines
1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide [no description available]	2.15	1	0	pyrrolidines
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide [no description available]	2.15	1	0	benzamides
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene BRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).	2.15	1	0	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
6,3',4'-Trimethoxyflavanone [no description available]	2.15	1	0	ether; flavonoids
1-[4-(3-ethoxyphenoxy)butyl]imidazole [no description available]	2.15	1	0	aromatic ether
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole [no description available]	2.15	1	0	oxadiazole; ring assembly
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione [no description available]	2.15	1	0	phthalimides
[4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone [no description available]	2.15	1	0	sulfonamide
3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide [no description available]	2.15	1	0	amidobenzoic acid
6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid [no description available]	2.15	1	0	aromatic amide
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide 2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide: a tissue-nonspecific alkaline phosphatase inhibitor; structure in first source	2.15	1	0	quinolines
LSM-25805 [no description available]	2.15	1	0	isoindoles
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide [no description available]	2.15	1	0	quinolines
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide [no description available]	2.15	1	0	1-benzothiophenes
nsc 727447 NSC 727447: structure in first source	2.15	1	0
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide [no description available]	2.15	1	0	acetamides
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide [no description available]	2.15	1	0	C-nitro compound; thiazoles
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine [no description available]	2.15	1	0	methoxybenzenes
N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide [no description available]	2.15	1	0	pyrrolidines
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide [no description available]	2.15	1	0	sulfonamide
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide [no description available]	2.15	1	0	C-nitro compound
4-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine [no description available]	2.17	1	0	isoquinolines
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide [no description available]	2.15	1	0	nitrophenol
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide [no description available]	2.15	1	0	quinolines
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine [no description available]	2.15	1	0	C-nitro compound
7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone [no description available]	2.17	1	0	quinazolines
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one: an estrogen receptor alpha inhibitor	2.15	1	0
2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone [no description available]	2.17	1	0	benzimidazoles
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide [no description available]	2.15	1	0	aromatic amide
ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoate [no description available]	2.17	1	0	organic molecular entity
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide [no description available]	2.15	1	0	aromatic amide; thiazoles
7-chloro-N-(phenylmethyl)-4-quinolinamine [no description available]	2.17	1	0	aminoquinoline
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine [no description available]	2.17	1	0	aminoquinoline
ex 527 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine.	2.15	1	0	carbazoles; monocarboxylic acid amide; organochlorine compound
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one [no description available]	2.15	1	0	indoles
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one [no description available]	2.15	1	0	phenylpyridine
3-methylharman [no description available]	2.15	1	0
quinocetone quinocetone: structure in first source	4.69	8	0
1-methyl-beta-carboline-3-carboxylic acid 1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source	2.15	1	0
2-acetylpyridine thiosemicarbazone 2-acetylpyridine thiosemicarbazone: RN given refers to parent cpd	2.17	1	0
nifurtimox Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.	2.06	1	0	nitrofuran antibiotic
1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea 1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea: structure in first source	2.17	1	0
4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime 4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime: a TRPA1 antagonist	2.17	1	0
gentamicin sulfate [no description available]	2.05	1	0
in 1130 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methyl)benzamide: an activin receptor-like kinase-5 inhibitor; structure in first source	3.31	1	0
tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.	2.05	1	0
caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.	2.25	1	0
deoxyguanosine [no description available]	2.06	1	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	2.31	1	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
sildenafil sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.	2.15	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
2-methyl-4(3h)-quinazolinone 2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source	2.15	1	0
n(4)-desoxychlordiazepoxide N(4)-desoxychlordiazepoxide: not phototoxic; structure given in first source	2.15	1	0
2-amino-3-hydroxyphenazine 2-amino-3-hydroxyphenazine: structure given in first source	2.15	1	0
2-styrylquinazolin-4(3h)-one 2-styrylquinazolin-4(3H)-one: structure given in first source	2.15	1	0
2-amino-5-iodo-6-phenyl-4-pyrimidinone [no description available]	2.15	1	0
quininib quininib: has antiangiogenic activity; structure in first source. quininib : A styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3	2.15	1	0	phenols; styrylquinoline	angiogenesis inhibitor
cyadox cyadox: structure	9.1	4	0
bropirimine [no description available]	2.15	1	0	pyrimidines
tirapazamine Tirapazamine: A triazine derivative that introduces breaks into DNA strands in hypoxic cells, sensitizing tumor cells to the cytotoxic activity of other drugs and radiation.. tirapazamine : A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4.	2.11	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.	2.06	1	0	guanosines	biomarker
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one [no description available]	2.15	1	0	quinazolines
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one [no description available]	2.15	1	0	quinazolines
carbadox Carbadox: An antibacterial agent that has been used in veterinary practice for treating swine dysentery and enteritis and for promoting growth. However, its use has been prohibited in the UK following reports of carcinogenicity and mutagenicity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p125)	9.97	4	0	quinoxaline derivative

Condition	Relationship Strength	Studies
Benign Neoplasms [description not available]	2.05	1
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	2.05	1
Koch's Disease [description not available]	2.05	1
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	2.05	1
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Parasitemia The presence of parasites (especially malarial parasites) in the blood. (Dorland, 27th ed)	2.06	1
Infections, Plasmodium [description not available]	2.17	1
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	2.17	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	3	4
Experimental Neoplasms [description not available]	2.21	1
E coli Infections [description not available]	2.11	1
Poultry Diseases Diseases of birds which are raised as a source of meat or eggs for human consumption and are usually found in barnyards, hatcheries, etc. The concept is differentiated from BIRD DISEASES which is for diseases of birds not considered poultry and usually found in zoos, parks, and the wild.	2.11	1
Swine Diseases Diseases of domestic swine and of the wild boar of the genus Sus.	2.49	2
Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI.	2.11	1
Adrenal Gland Diseases Pathological processes of the ADRENAL GLANDS.	2.48	2
Abnormalities, Autosome [description not available]	2.08	1

mequindox

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Protein Targets (8)

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Research Demand Index: 21.60

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