CHEMBL3114611
General
Type : Cyclopropyl,Piperidine,Urea derivative,Carboxamide
Chemical_Nomenclature : 4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
Canonical SMILES : C1CN(CCC1OC2=CC=CC=C2)C(=O)NC3CC3C4=CC=CC=C4
InChI : InChI=1S\/C21H24N2O2\/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17\/h1-10,18-20H,11-15H2,(H,22,24)\/t19-,20+\/m1\/s1
InChIKey : SAKQSHLUPVUJDT-UXHICEINSA-N
Other name(s) : BDBM50446781
MW : 336.42
Formula : C21H24N2O2
CAS_number :
PubChem : 76325076
UniChem : SAKQSHLUPVUJDT-UXHICEINSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3114611 ligand of proteins in family: Epoxide_hydrolase
Stucture : 4X6Y Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative
Protein : human-EPHX2
References (1)
| Title : Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors - Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| Author(s) : Takai K , Chiyo N , Nakajima T , Nariai T , Ishikawa C , Nakatani S , Ikeno A , Yamamoto S , Sone T |
| Ref : Bioorganic & Medicinal Chemistry Lett , 25 :1705 , 2015 |
| Abstract : Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| ESTHER : Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| PubMedSearch : Takai_2015_Bioorg.Med.Chem.Lett_25_1705 |
| PubMedID: 25800114 |
| Gene_locus related to this paper: human-EPHX2 |