GTPL9797
General
Type : Trifluoro, Piperidine, Sulfur Compound, Sulfonamide, Benzenesulfonamide
Chemical_Nomenclature : 4-amino-N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-cyanophenyl]benzenesulfonamide
Canonical SMILES : C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC(=C(C=C3)Cl)C(F)(F)F)C#N
InChI : InChI=1S\/C20H13ClF3N3O3S\/c21-18-7-4-15(10-17(18)20(22,23)24)30-19-8-3-14(9-12(19)11-25)27-31(28,29)16-5-1-13(26)2-6-16\/h1-10,27H,26H2
InChIKey : GADGQEKPNKSGMT-UHFFFAOYSA-N
Other name(s) : Compound 37, GTPL9797, Lp-PLA2-IN-3, CHEMBL4088985
MW : 467.84
Formula : C20H13ClF3N3O3S
CAS_number :
PubChem : 132427687
UniChem : GADGQEKPNKSGMT-UHFFFAOYSA-N
IUPHAR : 9797
Target
Families : GTPL9797 ligand of proteins in family
PAF-Acetylhydrolase
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 |
| PubMedID: 29193967 |
| Gene_locus related to this paper: human-PLA2G7 |