TTD | Drug: D04EXA

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]
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	16719761
Target and Pathway
Target(s)	Sodium-dependent dopamine transporter	Target Info	Inhibitor	[528826]
Target(s)	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 528826	J 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 528826	J 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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Drug Information