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Inhibitor Report for: CHEMBL4076292

Compound 4 promising lead for further druggability studies



General
Type: Sulfur Compound, Cyanide, Trifluoro
Chemical_Nomenclature: 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-cyanophenyl]sulfamoyl]benzoic acid
Canonical SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC(=C(C=C3)Cl)C(F)(F)F)C#N
InChI: InChI=1S/C21H12ClF3N2O5S/c22-18-7-4-15(10-17(18)21(23,24)25)32-19-8-3-14(9-13(19)11-26)27-33(30,31)16-5-1-12(2-6-16)20(28)29/h1-10,27H,(H,28,29)
InChIKey: DJDKMQCYTRHYFU-UHFFFAOYSA-N
Other name(s): 8U9
MW: 496.8
Formula: C21H12ClF3N2O5S
CAS_number:
PubChem: 134693750
IUPHAR:
Wikipedia:

Target families
CHEMBL4076292 ligand of proteins in family: PAF-Acetylhydrolase

Stucture of targets
1 structure:
5YEA: The crystal structure of Lp-PLA2 in complex with a novel inhibitor

Protein target
Enzyme: human-PLA2G7

References
Search PubMed for references concerning: CHEMBL4076292
    Title: Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2
    Liu Q, Huang F, Yuan X, Wang K, Zou Y, Shen J, Xu Y
    Ref: Journal of Medicinal Chemistry, 60:10231, 2017 : PubMed