CHEMBL3924430
CHEMBL3924430 (Structure 5LZ7) CHEMBL3983270 (Structure 5LZ5) are enantiomers
General
Type : Pyrrolidine,Cyanide
Chemical_Nomenclature : 2-fluoro-5-[2-[(4R)-4-methyl-2-oxo-4-phenylpyrrolidin-1-yl]ethoxy]benzonitrile
Canonical SMILES : CC1(CC(=O)N(C1)CCOC2=CC(=C(C=C2)F)C#N)C3=CC=CC=C3
InChI : InChI=1S\/C20H19FN2O2\/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22\/h2-8,11H,9-10,12,14H2,1H3\/t20-\/m0\/s1
InChIKey : WMVNTKWNIVSPIC-FQEVSTJZSA-N
Other name(s) : 2-Fluoranyl-5-[2-[(4~{r})-4-Methyl-2-Oxidanylidene-4-Phenyl-Pyrrolidin-1-Yl]ethoxy]benzenecarbonitrile,BDBM50197661,7BK
MW : 338.4
Formula : C20H19FN2O2
CAS_number :
PubChem : 122707118
UniChem : WMVNTKWNIVSPIC-FQEVSTJZSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3924430 ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 5LZ7 Fragment-based inhibitors of human Lipoprotein associated Phospholipase A2
Protein : human-PLA2G7
References (1)
| Title : Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) - Woolford_2016_J.Med.Chem_59_10738 |
| Author(s) : Woolford AJ , Day PJ , Beneton V , Berdini V , Coyle JE , Dudit Y , Grondin P , Huet P , Lee LY , Manas ES , McMenamin RL , Murray CW , Page LW , Patel VK , Potvain F , Rich SJ , Sang Y , Somers DO , Trottet L , Wan Z , Zhang X |
| Ref : Journal of Medicinal Chemistry , 59 :10738 , 2016 |
| Abstract : Woolford_2016_J.Med.Chem_59_10738 |
| ESTHER : Woolford_2016_J.Med.Chem_59_10738 |
| PubMedSearch : Woolford_2016_J.Med.Chem_59_10738 |
| PubMedID: 27933945 |
| Gene_locus related to this paper: human-PLA2G7 |