| Synonyms: | |
| Status: | Approved (1995) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | K7K69QC05X |
Structure
| InChI Key | GYWMRGWFQPSQLK-OPHZJPRHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H26ClNO3 |
| Molecular Weight | 375.9 |
| AlogP | 2.51 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.93 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 0.3067 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Alcoholism | 3 | D000437 | ClinicalTrials |
| Opioid-Related Disorders | 1 | D009293 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1201152 |
| EPA CompTox | DTXSID70891705 |
| FDA SRS | K7K69QC05X |
| PubChem | 57506750 |
| SureChEMBL | SCHEMBL628721 |
CONTENTS