Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M3YA
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| Former ID |
DNC014468
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| Drug Name |
(+/-)-threo-N-(2-Methylthiopene)methylphenidate
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| Synonyms |
CHEMBL1254843; (+/-)-threo-N-(2-Methylthiopene)methylphenidate; BDBM50327131; (alphaR)-alpha-[(2R)-1-(2-Thienylmethyl)-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 |
C19H23NO2S
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| Canonical SMILES |
COC(=O)C(C1CCCCN1CC2=CC=CS2)C3=CC=CC=C3
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| InChI |
1S/C19H23NO2S/c1-22-19(21)18(15-8-3-2-4-9-15)17-11-5-6-12-20(17)14-16-10-7-13-23-16/h2-4,7-10,13,17-18H,5-6,11-12,14H2,1H3/t17-,18-/m1/s1
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| InChIKey |
XGTZBGNNSZZVLK-QZTJIDSGSA-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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