Drug Information

Drug General Information
Drug ID
D0P9MQ
Former ID
DNC014461
Drug Name
(+/-)-threo-N-(4-Nitrobenzyl)methylphenidate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531163]
Structure
Download
2D MOL

3D MOL
Formula
C21H24N2O4
Canonical SMILES
COC(=O)C(C1CCCCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
1S/C21H24N2O4/c1-27-21(24)20(17-7-3-2-4-8-17)19-9-5-6-14-22(19)15-16-10-12-18(13-11-16)23(25)26/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3/t19-,20-/m1/s1
InChIKey
WXZFAWFIMBPTEP-WOJBJXKFSA-N
PubChem Compound ID
52943636
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.