CHEMBL3975283
General
Type : Pyrrolidine, Cyanide
Chemical_Nomenclature : 5-[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)ethoxy]-2-fluorobenzonitrile
Canonical SMILES : CC1(CC(=O)N(C1)CCOC2=CC(=C(C=C2)F)C#N)C
InChI : InChI=1S\/C15H17FN2O2\/c1-15(2)8-14(19)18(10-15)5-6-20-12-3-4-13(16)11(7-12)9-17\/h3-4,7H,5-6,8,10H2,1-2H3
InChIKey : GRUADGBFIDAGDY-UHFFFAOYSA-N
Other name(s) : 5-[2-(4,4-Dimethyl-2-Oxidanylidene-Pyrrolidin-1-Yl)ethoxy]-2-Fluoranyl-Benzenecarbonitrile || BDBM50197659 || 7BW
MW : 276.31
Formula : C15H17FN2O2
CAS_number :
PubChem : 122707116
UniChem : GRUADGBFIDAGDY-UHFFFAOYSA-N
Target
Families : CHEMBL3975283 ligand of proteins in family
PAF-Acetylhydrolase
Structure :
5LZ4
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 : |
| PubMedSearch : Woolford_2016_J.Med.Chem_59_10738 |
| PubMedID: 27933945 |
| Gene_locus related to this paper: human-PLA2G7 |