CHEMBL1615212
General
Type : Cyanide,Cyclopropyl
Chemical_Nomenclature : 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
Canonical SMILES : C1C(C1NC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3
InChI : InChI=1S\/C17H14N2O\/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13\/h1-9,15-16H,10H2,(H,19,20)\/t15-,16+\/m1\/s1
InChIKey : RPFFDFASGIBGIP-CVEARBPZSA-N
Other name(s) : 3ans,BDBM50336821,Rac-4-Cyano-N-(trans-2-phenylcyclopropyl)benzamide,S38,AKOS010826504
MW : 262.31
Formula : C17H14N2O
CAS_number :
PubChem : 49837852
UniChem : RPFFDFASGIBGIP-CVEARBPZSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL1615212 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3ANS Human soluble Epoxide hydrolase in complex with a synthetic inhibitor 1
Protein : human-EPHX2
References (1)
| Title : A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors - Tanaka_2011_J.Med.Chem_54_851 |
| Author(s) : Tanaka D , Tsuda Y , Shiyama T , Nishimura T , Chiyo N , Tominaga Y , Sawada N , Mimoto T , Kusunose N |
| Ref : Journal of Medicinal Chemistry , 54 :851 , 2011 |
| Abstract : Tanaka_2011_J.Med.Chem_54_851 |
| ESTHER : Tanaka_2011_J.Med.Chem_54_851 |
| PubMedSearch : Tanaka_2011_J.Med.Chem_54_851 |
| PubMedID: 21192659 |
| Gene_locus related to this paper: human-EPHX2 |