5LZ9-7BR
General
Type : Pyrrolidine,Cyanide,Sulfur Compound
Chemical_Nomenclature : 2-fluoro-5-[2-[(4S)-4-(4-methyl-1,1-dioxothian-4-yl)-2-oxopyrrolidin-1-yl]ethoxy]benzonitrile
Canonical SMILES : CC1(CCS(=O)(=O)CC1)C2CC(=O)N(C2)CCOC3=CC(=C(C=C3)F)C#N
InChI : InChI=1S\/C19H23FN2O4S\/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21\/h2-3,10,15H,4-9,11,13H2,1H3\/t15-\/m1\/s1
InChIKey : SYEMWCXBADSSGE-OAHLLOKOSA-N
Other name(s) : GTPL9796,CHEMBL3922315,J3.616.652E,(S)-23 [PMID: 27933945],2-Fluoranyl-5-[2-[(4~{s})-4-[4-Methyl-1,1-Bis(Oxidanylidene)thian-4-Yl]-2-Oxidanylidene-Pyrrolidin-1-Yl]ethoxy]benzenecarbonitrile
MW : 394.46
Formula : C19H23FN2O4S
CAS_number :
PubChem : 122707120
UniChem : SYEMWCXBADSSGE-OAHLLOKOSA-N
IUPHAR : 9796
Wikipedia :
Target
Families : 5LZ9-7BR ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 5LZ9 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 |