Drug General Information
Drug ID
D04EXA
Former ID
DNC013264
Drug Name
Erythro-3,4-dichloromethylphenidate hydrochloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528826]
Structure
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2D MOL

3D MOL

Formula
C14H18Cl3NO2
Canonical SMILES
COC(=O)C(C1CCCCN1)C2=CC(=C(C=C2)Cl)Cl.Cl
InChI
1S/C14H17Cl2NO2.ClH/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9;/h5-6,8,12-13,17H,2-4,7H2,1H3;1H/t12-,13+;/m1./s1
InChIKey
DJQISAOWJXQDPU-KZCZEQIWSA-N
PubChem Compound ID
Target and Pathway
Target(s) Sodium-dependent dopamine transporter Target Info Inhibitor [528826]
Sodium-dependent serotonin transporter Target Info Inhibitor [528826]
KEGG Pathway Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04726:Serotonergic synapse
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathwayP04373:5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type 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 CleftWP727:Monoamine Transport
SIDS Susceptibility Pathways
Synaptic Vesicle Pathway
Serotonin Transporter Activity
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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