Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0S6CT
|
|||
| Former ID |
DNC014456
|
|||
| Drug Name |
(+/-)-threo-N-(5-Phenylpentyl)methylphenidate
|
|||
| Synonyms |
CHEMBL1254009; (+/-)-threo-N-(5-Phenylpentyl)methylphenidate; BDBM50327118; (alphaR)-alpha-[(2R)-1-(5-Phenylpentyl)-2beta-piperidinyl]benzeneacetic acid methyl ester
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C25H33NO2
|
|||
| Canonical SMILES |
COC(=O)C(C1CCCCN1CCCCCC2=CC=CC=C2)C3=CC=CC=C3
|
|||
| InChI |
1S/C25H33NO2/c1-28-25(27)24(22-16-8-3-9-17-22)23-18-10-12-20-26(23)19-11-4-7-15-21-13-5-2-6-14-21/h2-3,5-6,8-9,13-14,16-17,23-24H,4,7,10-12,15,18-20H2,1H3/t23-,24-/m1/s1
|
|||
| InChIKey |
CYCPZJLWKPRDTM-DNQXCXABSA-N
|
|||
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.