Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0NW3Z
|
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| Former ID |
DNC011093
|
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| Drug Name |
COCAINE.HCL
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C17H22ClNO4
|
||||
| Canonical SMILES |
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl
|
||||
| InChI |
1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13-,14+,15-;/m1./s1
|
||||
| InChIKey |
PIQVDUKEQYOJNR-RWXTUVLLSA-N
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Sodium-dependent dopamine transporter | Target Info | Inhibitor | [1] | |
| Sodium-dependent serotonin transporter | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Dopaminergic synapse | ||||
| Parkinson's disease | |||||
| Cocaine addiction | |||||
| Amphetamine addiction | |||||
| Alcoholismhsa04726:Serotonergic synapse | |||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | Adrenaline and noradrenaline biosynthesis | ||||
| Parkinson disease | |||||
| Dopamine receptor mediated signaling pathwayP04373:5HT1 type receptor mediated signaling pathway | |||||
| 5HT2 type receptor mediated signaling pathway | |||||
| 5HT3 type receptor mediated signaling pathway | |||||
| 5HT4 type 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 CleftWP727:Monoamine Transport | |||||
| SIDS Susceptibility Pathways | |||||
| Synaptic Vesicle Pathway | |||||
| Serotonin Transporter Activity | |||||
| 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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