Drug Information

Drug General Information
Drug ID
D0Q9NW
Former ID
DNC013266
Drug Name
Threo-ritalinol methyl ether hydrochloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528826]
Structure
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2D MOL

3D MOL
Formula
C14H22ClNO
Canonical SMILES
COCC(C1CCCCN1)C2=CC=CC=C2.Cl
InChI
1S/C14H21NO.ClH/c1-16-11-13(12-7-3-2-4-8-12)14-9-5-6-10-15-14;/h2-4,7-8,13-15H,5-6,9-11H2,1H3;1H/t13-,14-;/m1./s1
InChIKey
BDMVVSRHZLDDIQ-DTPOWOMPSA-N
PubChem Compound ID
16719674
Target and Pathway
Target(s) Sodium-dependent dopamine transporter Target Info Inhibitor [528826]
KEGG Pathway Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholism
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
Reactome Na+/Cl- dependent neurotransmitter transporters
WikiPathways Monoamine Transport
NRF2 pathway
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 528826J Med Chem. 2007 May 31;50(11):2718-31. Epub 2007 May 10.Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate.
Ref 528826J Med Chem. 2007 May 31;50(11):2718-31. Epub 2007 May 10.Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate.

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