5AM1-I5T
IC50 3 nM
General
Type : Piperidine, Carboxamide, Cyclopropyl, Chromen
Chemical_Nomenclature : 4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
Canonical SMILES : C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)NC4CC4C5=CC=CC=C5
InChI : InChI=1S\/C23H24N2O3\/c26-20-15-23(28-21-9-5-4-8-17(20)21)10-12-25(13-11-23)22(27)24-19-14-18(19)16-6-2-1-3-7-16\/h1-9,18-19H,10-15H2,(H,24,27)\/t18-,19+\/m1\/s1
InChIKey : SWEAYHBSAXRXDZ-MOPGFXCFSA-N
Other name(s) : CHEMBL496189 || 4-Oxidanylidene-N-[(1s,2r)-2-Phenylcyclopropyl]spiro[3h-Chromene-2,4'-Piperidine]-1'-Carboxamide || BDBM50268380 || Q27461332 || (+\/-)-4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-2,4''-piperidine]-1''-carboxamide
MW : 376.4
Formula : C23H24N2O3
CAS_number :
PubChem : 44593665
UniChem : SWEAYHBSAXRXDZ-MOPGFXCFSA-N
Target
Families : 5AM1-I5T ligand of proteins in family
Epoxide_hydrolase
Structure :
5AM1
Protein :
human-EPHX2
References (1)
| Title : Successful generation of structural information for fragment-based drug discovery - Oster_2015_Drug.Discov.Today_20_1104 |
| Author(s) : Oster L , Tapani S , Xue Y , Kack H |
| Ref : Drug Discov Today , 20 :1104 , 2015 |
| Abstract : |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |