Drug Information

Drug General Information
Drug ID
D09QSO
Former ID
DNC014451
Drug Name
(+/-)-threo-N-(2-Phenylethyl)ritalinol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531163]
Structure
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2D MOL

3D MOL
Formula
C21H27NO
Canonical SMILES
C1CCN(C(C1)C(CO)C2=CC=CC=C2)CCC3=CC=CC=C3
InChI
1S/C21H27NO/c23-17-20(19-11-5-2-6-12-19)21-13-7-8-15-22(21)16-14-18-9-3-1-4-10-18/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-,21-/m1/s1
InChIKey
BWPOQJVXDJYEQS-NHCUHLMSSA-N
PubChem Compound ID
52944989
Target and Pathway
Target(s) Sodium-dependent dopamine transporter Target Info Inhibitor [531163]
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 531163Bioorg Med Chem. 2010 Oct 15;18(20):7221-38. Epub 2010 Aug 19.Quantitative structure-activity relationship studies of threo-methylphenidate analogs.
Ref 531163Bioorg Med Chem. 2010 Oct 15;18(20):7221-38. Epub 2010 Aug 19.Quantitative structure-activity relationship studies of threo-methylphenidate analogs.

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