E2012

Ligand id: 7358

Name: E2012

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 47.36
Molecular weight 419.2
XLogP 5.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
Synonyms
E 2012 | E-2012
Database Links
CAS Registry No. 870843-42-8 (source: PubChem)
ChEMBL Ligand CHEMBL1224151
PubChem CID 11560787
Search Google for chemical match using the InChIKey PUOAETJYKQITMO-LANLRWRYSA-N
Search Google for chemicals with the same backbone PUOAETJYKQITMO
Search UniChem for chemical match using the InChIKey PUOAETJYKQITMO-LANLRWRYSA-N
Search UniChem for chemicals with the same backbone PUOAETJYKQITMO
Comments
E2012 is a gamma -secretase modulator that differentially reduces plasma Aβ40 and Abβ42 levels while sparing notch cleavage in healthy human subjects following single dose oral administration for the treatment of Alzheimer's disease. However, induced cataract following repeated doses in the rat may halt development [2].