Details of the Drug

General Information of Drug (ID: DM4B7CM)

Drug Name
AZD0328
Synonyms AR-R23465XX; AZD-0328; Spiro[1-azabicyclo[2.2.2]octane-8,8'-7-oxa-5-azabicyclo[4.3.0]nona-2,4,10-triene]
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 216.28
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H16N2O
IUPAC Name
(3R)-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
InChI
InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1
InChIKey
OCKIPDMKGPYYJS-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
9794392
ChEBI ID
CHEMBL2151437
CAS Number
220099-91-2
UNII
2B218X5QIY
DrugBank ID
DB12145
TTD ID
D0Q9RR
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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 Modulator [2]
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: 7697).
2 Ultra-low exposure to -7 nicotinic acetylcholine receptor partial agonists elicits an improvement in cognition that corresponds with an increase in -7 receptor expression in rodents: implications for low dose clinical efficacy.Neuroscience.2011 Jul 14;186:76-87.