Drug Information

Drug General Information
Drug ID
D0Q0MN
Former ID
DNC013265
Drug Name
Threo-3,4-dichlororitalinol hydrochloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528826]
Structure
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2D MOL

3D MOL
Formula
C13H18Cl3NO
Canonical SMILES
C1CCNC(C1)C(CO)C2=CC(=C(C=C2)Cl)Cl.Cl
InChI
1S/C13H17Cl2NO.ClH/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13;/h4-5,7,10,13,16-17H,1-3,6,8H2;1H/t10-,13-;/m1./s1
InChIKey
YPADRBKCIWLELG-HTMVYDOJSA-N
PubChem Compound ID
16719763
Target and Pathway
Target(s) Sodium-dependent serotonin transporter Target Info Inhibitor [528826]
Sodium-dependent dopamine transporter Target Info Inhibitor [528826]
KEGG Pathway Serotonergic synapsehsa04728:Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholism
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway 5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type receptor mediated signaling pathwayP00001: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
SIDS Susceptibility Pathways
NRF2 pathway
Synaptic Vesicle Pathway
Serotonin Transporter ActivityWP727:Monoamine Transport
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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