Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P9MQ
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| Former ID |
DNC014461
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| Drug Name |
(+/-)-threo-N-(4-Nitrobenzyl)methylphenidate
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| Synonyms |
CHEMBL1253839; (+/-)-threo-N-(4-Nitrobenzyl)methylphenidate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H24N2O4
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| Canonical SMILES |
COC(=O)C(C1CCCCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
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| 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
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| InChIKey |
WXZFAWFIMBPTEP-WOJBJXKFSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Dopamine transporter (DAT) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Quantitative structure-activity relationship studies of threo-methylphenidate analogs. Bioorg Med Chem. 2010 Oct 15;18(20):7221-38. | |||
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