CHEMBL3233609-S0K-3WKD

not really a good inhibitor IC50: 1.71e+5 (nM) using PHOME as substrate

General

Type : Carboxamide, Sulfur Compound, Morpholine

Chemical_Nomenclature : N-(2-morpholin-4-ylphenyl)thiophene-3-carboxamide

Canonical SMILES : C1COCCN1C2=CC=CC=C2NC(=O)C3=CSC=C3

InChI : InChI=1S\/C15H16N2O2S\/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17\/h1-5,10-11H,6-9H2,(H,16,18)

InChIKey : SULRJGWRXWPTDW-UHFFFAOYSA-N

Other name(s) : S0K  ||  N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide  ||  CHEMBL3233609  ||  Oprea1_512225  ||  ZINC153993


MW : 288.4

Formula : C15H16N2O2S

CAS_number :

PubChem : 2813415

UniChem : SULRJGWRXWPTDW-UHFFFAOYSA-N

Target

Families : CHEMBL3233609-S0K-3WKD ligand of proteins in family
Epoxide_hydrolase

Structure :
3WKD

Protein :
human-EPHX2

References (1)

Title : Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography - Amano_2014_Bioorg.Med.Chem_22_2427
Author(s) : Amano Y , Yamaguchi T , Tanabe E
Ref : Bioorganic & Medicinal Chemistry , 22 :2427 , 2014
Abstract :
PubMedSearch : Amano_2014_Bioorg.Med.Chem_22_2427
PubMedID: 24656800
Gene_locus related to this paper: human-EPHX2