Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y2YH
|
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| Former ID |
DNC014483
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| Drug Name |
(+/-)-threo-N-Benzyl-3',4'-dichlororitalinol
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H23Cl2NO
|
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| Canonical SMILES |
C1CCN(C(C1)C(CO)C2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3
|
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| InChI |
1S/C20H23Cl2NO/c21-18-10-9-16(12-19(18)22)17(14-24)20-8-4-5-11-23(20)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,20,24H,4-5,8,11,13-14H2/t17-,20-/m1/s1
|
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| InChIKey |
NRJOAYKSGZHTCR-YLJYHZDGSA-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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