FL217

General

Type : Multitarget, PPARgamma ligand, Cyclopropyl, Sulfur Compound, Sulfonamide, Indole

Chemical_Nomenclature : ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide

Canonical SMILES : c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5

InChI : InChI=1S\/C27H23F4N3O3S\/c28-21-3-1-2-17(12-21)16-34-11-10-18-13-19(5-9-25(18)34)26(35)32-15-20-4-6-22(14-24(20)27(29,30)31)33-38(36,37)23-7-8-23\/h1-6,9-14,23,33H,7-8,15-16H2,(H,32,35)

InChIKey : NONHTXRHOREFAH-UHFFFAOYSA-N

Other name(s) :


MW : 545.55

Formula : C27H23F4N3O3S

CAS_number :

PubChem :

UniChem : NONHTXRHOREFAH-UHFFFAOYSA-N

Target

Families : FL217 ligand of proteins in family
Epoxide_hydrolase

Structure :
7P4K

Protein :
human-EPHX2

References (1)

Title : Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists\/Soluble Epoxide Hydrolase Inhibitors - Lillich_2021_J.Med.Chem_64_17259
Author(s) : Lillich FF , Willems S , Ni X , Kilu W , Borkowsky C , Brodsky M , Kramer JS , Brunst S , Hernandez-Olmos V , Heering J , Schierle S , Kestner RI , Mayser FM , Helmstadter M , Gobel T , Weizel L , Namgaladze D , Kaiser A , Steinhilber D , Pfeilschifter W , Kahnt AS , Proschak A , Chaikuad A , Knapp S , Merk D , Proschak E
Ref : Journal of Medicinal Chemistry , : , 2021
Abstract :
PubMedSearch : Lillich_2021_J.Med.Chem_64_17259
PubMedID: 34818007
Gene_locus related to this paper: human-EPHX2