AQW051

Ligand id: 7371

Name: AQW051

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 25.36
Molecular weight 294.17
XLogP 3.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(3R)-3-{[6-(4-methylphenyl)pyridin-3-yl]oxy}-1-azabicyclo[2.2.2]octane
Comments
AQW 051 is an α7 nicotinic acetylcholine receptor (nAChR) agonist from Novartis for the oral treatment of cognitive deficits in schizophrenia, Alzheimer's, and Parkinson's diseases. Structure first disclosed at March 2014 ACS meeting. The (3S) version is CID 71553840
Database Links
CAS Registry No. 669770-29-0 (source: Scifinder)
GtoPdb PubChem SID 178103943
PubChem CID 50914822
Search Google for chemical match using the InChIKey NPDLTEZXGWRMLQ-IBGZPJMESA-N
Search Google for chemicals with the same backbone NPDLTEZXGWRMLQ
Search UniChem for chemical match using the InChIKey NPDLTEZXGWRMLQ-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone NPDLTEZXGWRMLQ