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) : 5IV || CHEMBL5084336 || BDBM50586946
MW : 545.55
Formula : C27H23F4N3O3S
CAS_number :
PubChem : 164513400
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 |