| Synonyms: | |
| Status: | Approved (1984) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 9D2RTI9KYH |
| Parent Compound: |
Structure
| InChI Key | MISZALMBODQYFT-URVXVIKDSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H28BrNO2 |
| Molecular Weight | 370.33 |
| AlogP | 3.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.47 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 50 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
| Depressive Disorder | 2 | D003866 | ClinicalTrials |
| Migraine Disorders | 2 | D008881 | ClinicalTrials |
| Prostatic Neoplasms | 1 | D011471 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Depressive Disorder, Major | 1 | D003865 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 4471 |
| ChEMBL | CHEMBL1256818 |
| FDA SRS | 9D2RTI9KYH |
| PubChem | 5462351 |
| SureChEMBL | SCHEMBL121923 |
CONTENTS