Details of the Drug

General Information of Drug (ID: DMD2RFO)

Drug Name

AQW-051

Synonyms

AQW-051; 669770-29-0; (R)-3-((6-(p-Tolyl)pyridin-3-yl)oxy)quinuclidine; AQW051; NPDLTEZXGWRMLQ-IBGZPJMESA-N; UNII-JQH481R778; SCHEMBL1459285; GTPL7371; SCHEMBL19522679; JQH481R778; ZINC3942685; AKOS030628482; SB17130; AS-35273; (R)-3-(6-p-tolyl-pyridin-3-yloxy)-1-aza-bicyclo[2.2.2]octane

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

294.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H22N2O
IUPAC Name: (3R)-3-[6-(4-methylphenyl)pyridin-3-yl]oxy-1-azabicyclo[2.2.2]octane
Canonical SMILES: CC1=CC=C(C=C1)C2=NC=C(C=C2)O[C@H]3CN4CCC3CC4
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
InChIKey: NPDLTEZXGWRMLQ-IBGZPJMESA-N

Cross-matching ID

PubChem CID: 50914822
ChEBI ID: CHEMBL4532388
TTD ID: D0H1AY

Drug-Molecule Activity Atlas (DMA)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-7 (CHRNA7)	TTLA931	ACHA7_HUMAN	Agonist	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7371).
2	AQW051, a novel and selective nicotinic acetylcholine receptor alpha7 partial agonist, reduces l-Dopa-induced dyskinesias and extends the duration of l-Dopa effects in parkinsonian monkeys. Parkinsonism Relat Disord. 2014 Nov;20(11):1119-23.