CHEMBL1689794
General
Type : Benzoxazol
Chemical_Nomenclature : N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
Canonical SMILES : C1CCC(C1)CC(=O)NC2=NC3=C(O2)C=CC(=C3)Cl
InChI : InChI=1S\/C14H15ClN2O2\/c15-10-5-6-12-11(8-10)16-14(19-12)17-13(18)7-9-3-1-2-4-9\/h5-6,8-9H,1-4,7H2,(H,16,17,18)
InChIKey : QXFNONNLQZPIAQ-UHFFFAOYSA-N
Other name(s) : ZYI,3pdc,AKOS002010805,CCG-189236,MCULE-4919785446,N-(5-Chloro-1,3-Benzoxazol-2-Yl)-2-Cyclopentylacetamide
MW : 278.73
Formula : C14H15ClN2O2
CAS_number :
PubChem : 20965265
UniChem : QXFNONNLQZPIAQ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL1689794 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3PDC Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor
Protein : human-EPHX2
References (1)
| Title : Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening - Xing_2011_J.Med.Chem_54_1211 |
| Author(s) : Xing L , McDonald JJ , Kolodziej SA , Kurumbail RG , Williams JM , Warren CJ , O'Neal JM , Skepner JE , Roberds SL |
| Ref : Journal of Medicinal Chemistry , 54 :1211 , 2011 |
| Abstract : Xing_2011_J.Med.Chem_54_1211 |
| ESTHER : Xing_2011_J.Med.Chem_54_1211 |
| PubMedSearch : Xing_2011_J.Med.Chem_54_1211 |
| PubMedID: 21302953 |
| Gene_locus related to this paper: human-EPHX2 |