Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: 5AM1-I5T

IC50 3 nM


General
Type Piperidine, Carboxamide, Cyclopropyl
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
IUPHAR|
Wikipedia|

Target
Families | 5AM1-I5T ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 5AM1: ligand complex structure of soluble epoxide hydrolase
Protein | human-EPHX2

References:
Search PubMed for references concerning: 5AM1-I5T
    Title: Successful generation of structural information for fragment-based drug discovery
    Oster L, Tapani S, Xue Y, Kack H
    Ref: Drug Discov Today, 20:1104, 2015 : PubMed