Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3003)
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 Alzheimer disease [ICD11: 8A20] Discontinued in Phase 2 [1]
Schizophrenia [ICD11: ICD11: 6A20] Discontinued in Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 234.34 Topological Polar Surface Area 34.2
Heavy Atom Count 17 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
9824145
CAS Number
252870-53-4
TTD Drug ID
D0AB4Q
Formula
C14H22N2O
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
TC-1784 DM017284 N. A. Oxidation - N-desalkylation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008382 Ispronicline TC-1784 Oxidation - N-desalkylation Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800011083)
3 Evaluation of the effects of AZD3480 on cardiac repolarization: a thorough QT/QTc study using moxifloxacin as a positive control
4 Pharmacokinetics and safety profile of ispronicline (TC-1734), a new brain nicotinic receptor partial agonist, in young healthy male volunteers

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