Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
CHEMBL1254100; (+/-)-threo-N-(4-Phenylbutyl)methylphenidate; BDBM50327117; (alphaR)-alpha-[(2R)-1-(4-Phenylbutyl)-2beta-piperidinyl]benzeneacetic acid methyl ester
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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 |
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 | 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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