CHEMBL4075815
General
Type : Sulfur Compound,Cyanide,Naphthalen
Chemical_Nomenclature : N-[4-[(3-cyano-4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]acetamide
Canonical SMILES : CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC4=CC=CC=C4C=C3)C#N
InChI : InChI=1S\/C25H19N3O4S\/c1-17(29)27-21-7-11-24(12-8-21)33(30,31)28-22-9-13-25(20(14-22)16-26)32-23-10-6-18-4-2-3-5-19(18)15-23\/h2-15,28H,1H3,(H,27,29)
InChIKey : XLRISFAORWYVBT-UHFFFAOYSA-N
Other name(s) : 8U6
MW : 457.5
Formula : C25H19N3O4S
CAS_number :
PubChem : 134693749
UniChem : XLRISFAORWYVBT-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL4075815 ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 5YE9 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 |