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
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
CHEBI:7930
CAS Number
555-57-7
DrugBank ID
DB01626
TTD ID
D0R0UJ
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
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
Monoamine oxidase (MAO) TT32XQJ NOUNIPROTAC Inhibitor [2]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amine oxidase B (MAOB) OTTDFM1O AOFB_HUMAN Gene/Protein Processing [5]
Cytochrome P450 2B6 (CYP2B6) OTOYO4S7 CP2B6_HUMAN Gene/Protein Processing [6]
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.
5 Combining initro and in silico approaches to evaluate the multifunctional profile of rosmarinic acid from Blechnum brasiliense on targets related to neurodegeneration. Chem Biol Interact. 2016 Jul 25;254:135-45.
6 Evaluation of metabolism dependent inhibition of CYP2B6 mediated bupropion hydroxylation in human liver microsomes by monoamine oxidase inhibitors and prediction of potential as perpetrators of drug interaction. Chem Biol Interact. 2015 Mar 25;230:9-20.