Details of the Drug

General Information of Drug (ID: DMM0HR1)

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
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Approved [1]
Muscular dystrophy 8C70 Patented [2]
Skin imperfections EK71 Patented [2]
Therapeutic Class
Antihypertensive Agents
Affected Organisms
Humans and other mammals
ATC Code
C02KC01: Pargyline
C02KC: MAO inhibitors
C02K: OTHER ANTIHYPERTENSIVES
C02: ANTIHYPERTENSIVES
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 159.23
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Chemical Identifiers
Formula
C11H13N
IUPAC Name
N-benzyl-N-methylprop-2-yn-1-amine
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
Cross-matching ID
PubChem CID
4688
ChEBI ID
CHEMBL673
CAS Number
555-57-7
UNII
9MV14S8G3E
DrugBank ID
DB01626
TTD ID
D0R0UJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase (MAO) TT32XQJ NOUNIPROTAC Inhibitor [2]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypertension
ICD Disease Classification BA00-BA04
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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 BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
4 Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8.