Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Q0MN
|
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| Former ID |
DNC013265
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| Drug Name |
Threo-3,4-dichlororitalinol hydrochloride
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H18Cl3NO
|
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| Canonical SMILES |
C1CCNC(C1)C(CO)C2=CC(=C(C=C2)Cl)Cl.Cl
|
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| InChI |
1S/C13H17Cl2NO.ClH/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13;/h4-5,7,10,13,16-17H,1-3,6,8H2;1H/t10-,13-;/m1./s1
|
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| InChIKey |
YPADRBKCIWLELG-HTMVYDOJSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Sodium-dependent serotonin transporter | Target Info | Inhibitor | [1] | |
| Sodium-dependent dopamine transporter | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Serotonergic synapsehsa04728:Dopaminergic synapse | ||||
| Parkinson's disease | |||||
| Cocaine addiction | |||||
| Amphetamine addiction | |||||
| Alcoholism | |||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | 5HT1 type receptor mediated signaling pathway | ||||
| 5HT2 type receptor mediated signaling pathway | |||||
| 5HT3 type receptor mediated signaling pathway | |||||
| 5HT4 type receptor mediated signaling pathwayP00001: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 | ||||
| SIDS Susceptibility Pathways | |||||
| NRF2 pathway | |||||
| Synaptic Vesicle Pathway | |||||
| Serotonin Transporter ActivityWP727:Monoamine Transport | |||||
| 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 | J Med Chem. 2007 May 31;50(11):2718-31. Epub 2007 May 10.Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate. | ||||
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