Details of the Drug

General Information of Drug (ID: DMKY2UE)

Drug Name
Ispronicline
Synonyms RJR 1734; TC 01734; AZD-3480; RJR-1734; Ispronicline (INN/USAN); (E)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Discontinued in Phase 2 [1]
Schizophrenia 6A20 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 234.34
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H22N2O
IUPAC Name
(E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine
Canonical SMILES
C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC
InChI
InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1
InChIKey
RPCVIAXDAUMJJP-PZBABLGHSA-N
Cross-matching ID
PubChem CID
9824145
CAS Number
252870-53-4
DrugBank ID
DB16205
TTD ID
D0AB4Q
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuronal acetylcholine receptor alpha-4/beta-2 (CHRNA4/B2) TTL1ATN ACHA4_HUMAN ; ACHB2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Neuronal acetylcholine receptor alpha-4/beta-2 (CHRNA4/B2) DTT CHRNA4-CHRNB2 1.04E-01 -0.12 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800011083)
2 Ispronicline: a novel alpha4beta2 nicotinic acetylcholine receptor-selective agonist with cognition-enhancing and neuroprotective properties. J Mol Neurosci. 2006;30(1-2):19-20.