Details of the Drug

General Information of Drug (ID: DMPVG5Y)

Drug Name

[3H]AZ11637326

Synonyms

[3H]AZ11637326; GTPL3971

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

310.4

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H19FN2O
IUPAC Name: (3R)-5'-(3-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
Canonical SMILES: C1CN2CCC1[C@@]3(C2)CC4=C(O3)N=CC(=C4)C5=CC(=CC=C5)F
InChI: InChI=1S/C19H19FN2O/c20-17-3-1-2-13(9-17)15-8-14-10-19(23-18(14)21-11-15)12-22-6-4-16(19)5-7-22/h1-3,8-9,11,16H,4-7,10,12H2/t19-/m0/s1
InChIKey: MRVNNESNVNUKCV-IBGZPJMESA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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: 3971).
2	In vitro binding characteristics of [3H]AZ11637326, a novel alpha7-selective neuronal nicotinic receptor agonist radioligand. Eur J Pharmacol. 2010 Oct 25;645(1-3):63-9.