Drug Information

Drug General Information
Drug ID
D02TMK
Former ID
DNC010642
Drug Name
METHYLENEDIOXYAMPHETAMINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530914]
Structure
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2D MOL

3D MOL
Formula
C10H13NO2
Canonical SMILES
CC(CC1=CC2=C(C=C1)OCO2)N
InChI
1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
InChIKey
NGBBVGZWCFBOGO-UHFFFAOYSA-N
PubChem Compound ID
1614
Target and Pathway
Target(s) Sodium-dependent noradrenaline transporter Target Info Inhibitor [530914]
Sodium-dependent serotonin transporter Target Info Inhibitor [530347]
Sodium-dependent dopamine transporter Target Info Inhibitor [530914]
KEGG Pathway Serotonergic synapsehsa04728:Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholism
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Adrenaline and noradrenaline biosynthesisP04373:5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type receptor mediated signaling pathwayP00001:Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
Reactome Na+/Cl- dependent neurotransmitter transportersR-HSA-442660:Na+/Cl- dependent neurotransmitter transporters
WikiPathways Monoamine Transport
NRF2 pathway
Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compoundsWP727:Monoamine Transport
SIDS Susceptibility Pathways
Synaptic Vesicle Pathway
Serotonin Transporter ActivityWP727:Monoamine Transport
Dopaminergic Neurogenesis
Parkinsons Disease Pathway
Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds
Neurotransmitter Clearance In The Synaptic Cleft
References
Ref 530914Bioorg Med Chem. 2010 Jun 1;18(11):4009-31. Epub 2010 Apr 13.Synthesis and in vitro toxicity of 4-MTA, its characteristic clandestine synthesis byproducts and related sulfur substituted alpha-alkylthioamphetamines.
Ref 530347Eur J Med Chem. 2009 Dec;44(12):4862-88. Epub 2009 Aug 6.Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents.
Ref 530914Bioorg Med Chem. 2010 Jun 1;18(11):4009-31. Epub 2010 Apr 13.Synthesis and in vitro toxicity of 4-MTA, its characteristic clandestine synthesis byproducts and related sulfur substituted alpha-alkylthioamphetamines.

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