AQW051   Click here for help

GtoPdb Ligand ID: 7371

Synonyms: AQW-051 | VQW 765 | VQW-765 | VQW765
Compound class: Synthetic organic
Comment: AQW 051 is an α7 nicotinic acetylcholine receptor (nAChR) partial agonist from Novartis for the oral treatment of cognitive deficits in schizophrenia, Alzheimer's, and Parkinson's diseases [1,3]. Structure first disclosed at March 2014 ACS meeting. The (3S) version is CID 71553840. The compound was later re-named to VQW-765 (Vanda Pharmaceuticals).
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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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AQW-051 | VQW 765 | VQW-765 | VQW765
Database Links Click here for help
BindingDB Ligand 50520725
CAS Registry No. 669770-29-0 (source: Scifinder)
ChEMBL Ligand CHEMBL4532388
GtoPdb PubChem SID 178103943
PubChem CID 50914822
Search Google for chemical match using the InChIKey NPDLTEZXGWRMLQ-IBGZPJMESA-N
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UniChem Compound Search for chemical match using the InChIKey NPDLTEZXGWRMLQ-IBGZPJMESA-N
UniChem Connectivity Search for chemical match using the InChIKey NPDLTEZXGWRMLQ-IBGZPJMESA-N