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
IUPHAR :
Wikipedia :
Target
Families : G3W ligand of proteins in family: Epoxide_hydrolase
Stucture : 6HGW Human soluble epoxide hydrolase in complex with 2-(4-fluorophenyl)-N-(4-phenoxybenzyl)ethanamine
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 : Hiesinger_2019_ACS.Med.Chem.Lett_10_899 |
| ESTHER : Hiesinger_2019_ACS.Med.Chem.Lett_10_899 |
| PubMedSearch : Hiesinger_2019_ACS.Med.Chem.Lett_10_899 |
| PubMedID: 31223445 |
| Gene_locus related to this paper: human-EPHX2 |