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
No information available.
Summary of Clinical Use Click here for help
Trials have been registered for schizophrenia, Alzheimer's, and Parkinson's diseases in clinicaltrials.gov entries , However, none have yet been published. Note also the Alzheimer's 2009 trial was terminated.