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

General Information of Drug (ID: DR3315)
Drug Name
Ladostigil
Synonyms Ladostigil tartrate; Alzheimer disease therapeutics, Teva; TV-3219; TV-3279; TV-3326
Indication Alzheimer disease [ICD11: 8A20] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 272.34 Topological Polar Surface Area 41.6
Heavy Atom Count 20 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
208907
CAS Number
209394-27-4
TTD Drug ID
D0C3UC
Formula
C16H20N2O2
Canonical SMILES
CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1
InChI
InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1
InChIKey
LHXOCOHMBFOVJS-OAHLLOKOSA-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
R-CAI DM019671 N. A. Oxidation - Depropargylation 1 [2]
R-HPAI DM015440
5289289
Hydrolysis - Hydrolysis 1 [2]
R-MCPAI DM019670 N. A. Oxidation - Demethylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012374 Ladostigil R-MCPAI Oxidation - Demethylation CYP2C19 [2]
MR012375 Ladostigil R-CAI Oxidation - Depropargylation CYP1A2 [2]
MR012376 Ladostigil R-HPAI Hydrolysis - Hydrolysis AchE [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Acetylcholinesterase (ACHE) DME0058 Homo sapiens
ACES_HUMAN
3.1.1.7
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Ladostigil: a novel multimodal neuroprotective drug with cholinesterase and brain-selective monoamine oxidase inhibitory activities for Alzheimer's disease treatment. Curr Drug Targets. 2012 Apr;13(4):483-94.
2 Anti-inflammatory effects of ladostigil and its metabolites in aged rat brain and in microglial cells

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