Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D08YJE
|
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| Former ID |
DNC014455
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| Drug Name |
(+/-)-threo-N-(4-Phenylbutyl)methylphenidate
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C24H31NO2
|
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| Canonical SMILES |
COC(=O)C(C1CCCCN1CCCCC2=CC=CC=C2)C3=CC=CC=C3
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| InChI |
1S/C24H31NO2/c1-27-24(26)23(21-15-6-3-7-16-21)22-17-9-11-19-25(22)18-10-8-14-20-12-4-2-5-13-20/h2-7,12-13,15-16,22-23H,8-11,14,17-19H2,1H3/t22-,23-/m1/s1
|
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| InChIKey |
TYKSHJPRQWJNHO-DHIUTWEWSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Sodium-dependent dopamine transporter | 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 | |||||
| REF 1 | 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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