Drug Information

Drug General Information
Drug ID
D06OIU
Former ID
DNC013270
Drug Name
Threo-N-ethylritalinol hydrochloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528826]
Structure
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2D MOL

3D MOL
Formula
C15H24ClNO
Canonical SMILES
CCN1CCCCC1C(CO)C2=CC=CC=C2.Cl
InChI
1S/C15H23NO.ClH/c1-2-16-11-7-6-10-15(16)14(12-17)13-8-4-3-5-9-13;/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3;1H/t14-,15-;/m1./s1
InChIKey
SXBGSGKJIAMWDZ-CTHHTMFSSA-N
PubChem Compound ID
16720957
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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