| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 895OJP78MJ |
Structure
| InChI Key | NJMYODHXAKYRHW-BLLMUTORSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H25F3N2OS |
| Molecular Weight | 434.53 |
| AlogP | 4.6 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.71 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | 18 | - | |
|
Membrane receptor
|
- | 15 | - | 18 | - | |
|
Transporter
Electrochemical transporter
|
- | - | - | - | 72 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
| Substance-Related Disorders | 2 | D019966 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL42055 |
| EPA CompTox | DTXSID50110027 |
| FDA SRS | 895OJP78MJ |
| Guide to Pharmacology | 968 |
| SureChEMBL | SCHEMBL414352 |
| ZINC | ZINC000028643021 |
CONTENTS