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

General Information of Drug (ID: DR5556)
Drug Name
Pargyline
Synonyms
Benzylmethylpropargylamine; Benzylmethylpropynylamine; Eudatin; Eutron; Methylbenzylpropynylamine; Paragyline; Pargilina; Pargylamine; Pargylin; Pargylinum; Supirdyl; A 19120; MO 911; Pargilina [INN-Spanish]; Pargyline (INN); Pargyline [INN:BAN]; Pargylinum [INN-Latin]; Benzyl-methyl-2-propinylamin; Benzyl-methyl-2-propinylamin [Czech]; N-Methyl-N-benzylpropynylamine; N-Methyl-N-propargylbenzylamine; N-Methyl-N-2-propynylbenzylamine; N-Benzyl-N-methyl-2-propynylamine; N-Benzyl-N-methyl-2-propyn-1; N-Benzyl-N-methyl-2-propyn-1-amine; N-benzyl-N-methylprop-2-yn-1-amine; N-methyl-N-(phenylmethyl)prop-2-yn-1-amine
Indication Hypertension [ICD11: BA00-BA04] Approved [1]
Muscular dystrophy [ICD11: ICD11: 8C70] Patented [2]
Skin imperfections [ICD11: ICD11: EK71] Patented [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 159.23 Topological Polar Surface Area 3.2
Heavy Atom Count 12 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
4688
ChEBI ID
CHEBI:7930
CAS Number
555-57-7
TTD Drug ID
D0R0UJ
Formula
C11H13N
Canonical SMILES
CN(CC#C)CC1=CC=CC=C1
InChI
InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey
DPWPWRLQFGFJFI-UHFFFAOYSA-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
Benzaldehyde DM006938
240
Oxidation - N-oxidation 1 [4]
Pargyline metabolite3 DM017582 N. A. Unclear - Unclear 1 [4]
Pargyline metabolite4 DM015321
521150
Unclear - Unclear 1 [4]
Pargyline metabolite5 DM016388
87692563
Oxidation - N-oxidation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009022 Pargyline Pargyline metabolite2 Oxidation - N-oxidation Unclear [4]
MR009023 Pargyline Pargyline metabolite3 Unclear - Unclear Unclear [4]
MR009024 Pargyline Pargyline metabolite4 Unclear - Unclear Unclear [4]
MR009025 Pargyline Pargyline metabolite5 Oxidation - N-oxidation Unclear [4]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.
3 Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.
4 Microsomal formation and chemical decomposition of pargyline N-oxide

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