G3W

General

Type : Phenoxyphenyl

Chemical_Nomenclature : 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine

Canonical SMILES : Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1

InChI : InChI=1S\/C21H20FNO\/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20\/h1-13,23H,14-16H2

InChIKey : BPPBYUPUAFZCNN-UHFFFAOYSA-N

Other name(s) : CHEMBL4463223  ||  2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine  ||  BDBM50511330


MW : 321.39

Formula : C21H20FNO

CAS_number :

PubChem : 138756786

UniChem : BPPBYUPUAFZCNN-UHFFFAOYSA-N

Target

Families : G3W ligand of proteins in family
Epoxide_hydrolase

Structure :
6HGW

Protein :
human-EPHX2

References (1)

Title : Computer-Aided Selective Optimization of Side Activities of Talinolol - Hiesinger_2019_ACS.Med.Chem.Lett_10_899
Author(s) : Hiesinger K , Kramer JS , Achenbach J , Moser D , Weber J , Wittmann SK , Morisseau C , Angioni C , Geisslinger G , Kahnt AS , Kaiser A , Proschak A , Steinhilber D , Pogoryelov D , Wagner K , Hammock BD , Proschak E
Ref : ACS Med Chem Lett , 10 :899 , 2019
Abstract :
PubMedSearch : Hiesinger_2019_ACS.Med.Chem.Lett_10_899
PubMedID: 31223445
Gene_locus related to this paper: human-EPHX2