Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09QSO
|
|||
| Former ID |
DNC014451
|
|||
| Drug Name |
(+/-)-threo-N-(2-Phenylethyl)ritalinol
|
|||
| Synonyms |
CHEMBL1254280; (+/-)-threo-N-(2-Phenylethyl)ritalinol; BDBM50327113; (betaR)-beta-[(2R)-1-Phenethylpiperidine-2beta-yl]phenethyl alcohol
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C21H27NO
|
|||
| Canonical SMILES |
C1CCN(C(C1)C(CO)C2=CC=CC=C2)CCC3=CC=CC=C3
|
|||
| InChI |
1S/C21H27NO/c23-17-20(19-11-5-2-6-12-19)21-13-7-8-15-22(21)16-14-18-9-3-1-4-10-18/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-,21-/m1/s1
|
|||
| InChIKey |
BWPOQJVXDJYEQS-NHCUHLMSSA-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.