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
UniChem : DJDKMQCYTRHYFU-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL4076292 ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 5YEA The crystal structure of human Lp-PLA2 in complex with a novel inhibitor
Protein : human-PLA2G7
References (1)
| Title : Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2 - Liu_2017_J.Med.Chem_60_10231 |
| Author(s) : Liu Q , Huang F , Yuan X , Wang K , Zou Y , Shen J , Xu Y |
| Ref : Journal of Medicinal Chemistry , 60 :10231 , 2017 |
| Abstract : Liu_2017_J.Med.Chem_60_10231 |
| ESTHER : Liu_2017_J.Med.Chem_60_10231 |
| PubMedSearch : Liu_2017_J.Med.Chem_60_10231 |
| PubMedID: 29193967 |
| Gene_locus related to this paper: human-PLA2G7 |