Drug Information

Drug General Information
Drug ID
D09BJN
Former ID
DNC014484
Drug Name
(+/-)-threo-3',4'-Dichloromethylphenidate amide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531163]
Structure
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2D MOL

3D MOL
Formula
C13H16Cl2N2O
Canonical SMILES
C1CCNC(C1)C(C2=CC(=C(C=C2)Cl)Cl)C(=O)N
InChI
1S/C13H16Cl2N2O/c14-9-5-4-8(7-10(9)15)12(13(16)18)11-3-1-2-6-17-11/h4-5,7,11-12,17H,1-3,6H2,(H2,16,18)/t11-,12-/m1/s1
InChIKey
OUZYXOJONCTZTI-VXGBXAGGSA-N
PubChem Compound ID
52941144
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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