ELND006

Ligand id: 7337

Name: ELND006

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 74.44
Molecular weight 455.07
XLogP 5.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R)-4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethyl)benzenesulfonyl]-1H,4H,5H-pyrazolo[4,3-c]quinoline
Database Links
CAS Registry No. 959997-22-9 (source: PubChem)
ChEMBL Ligand CHEMBL2396778
PubChem CID 53308121
Search Google for chemical match using the InChIKey XODSHWXKSMPDRP-LJQANCHMSA-N
Search Google for chemicals with the same backbone XODSHWXKSMPDRP
Search UniChem for chemical match using the InChIKey XODSHWXKSMPDRP-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone XODSHWXKSMPDRP
Comments
ELND006 is a novel γ-secretase inhibitor by Elan Corporation that was in the clinic as a potential treatment for Alzheimer's disease (AD). The clinical trial was halted in October 2010 due to liver side effects that are thought to be unrelated to the mechanism of action [1]