AQW051   Click here for help

GtoPdb Ligand ID: 7371

Compound class: Synthetic organic
Comment: 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
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(cc1)c1ccc(cn1)OC1CN2CCC1CC2
Isomeric SMILES Cc1ccc(cc1)c1ccc(cn1)O[C@H]1CN2CCC1CC2
InChI InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1
InChI Key NPDLTEZXGWRMLQ-IBGZPJMESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3R)-3-{[6-(4-methylphenyl)pyridin-3-yl]oxy}-1-azabicyclo[2.2.2]octane
Database Links Click here for help
CAS Registry No. 669770-29-0 (source: Scifinder)
GtoPdb PubChem SID 178103943
PubChem CID 50914822
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