CHEMBL1615216
General
Type : Piperidine,Urea derivative,Cyclopropyl,Carboxamide,Oxadiazol
Chemical_Nomenclature : N-[(1S,2R)-2-phenylcyclopropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
Canonical SMILES : CC(C)C1=NOC(=N1)C2CCN(CC2)C(=O)NC3CC3C4=CC=CC=C4
InChI : InChI=1S\/C20H26N4O2\/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14\/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)\/t16-,17+\/m1\/s1
InChIKey : WYQYSMZPAAVISB-SJORKVTESA-N
Other name(s) : S82,4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide,3ant,BDBM50336822,Rac-4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-N-(trans-2-phenylcyclopropyl)piperidine-1-carboxamide
MW : 354.45
Formula : C20H26N4O2
CAS_number :
PubChem : 49837853
UniChem : WYQYSMZPAAVISB-SJORKVTESA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL1615216 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3ANT 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 |