TTD | Drug: D09OOO

Drug General Information
Drug ID	D09OOO
Former ID	DNC014462
Drug Name	(+/-)-threo-N-(4-Methoxybenzyl)methylphenidate
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531163]
Structure		Download 2D MOL 3D MOL
Formula	C22H27NO3
Canonical SMILES	COC1=CC=C(C=C1)CN2CCCCC2C(C3=CC=CC=C3)C(=O)OC
InChI	1S/C22H27NO3/c1-25-19-13-11-17(12-14-19)16-23-15-7-6-10-20(23)21(22(24)26-2)18-8-4-3-5-9-18/h3-5,8-9,11-14,20-21H,6-7,10,15-16H2,1-2H3/t20-,21-/m1/s1
InChIKey	PMKFGPNZRGUOSJ-NHCUHLMSSA-N
PubChem Compound ID	52942312
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 531163	Bioorg Med Chem. 2010 Oct 15;18(20):7221-38. Epub 2010 Aug 19.Quantitative structure-activity relationship studies of threo-methylphenidate analogs.
Ref 531163	Bioorg 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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Drug Information