| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1969) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 59IG47SZ0E |
| InChI Key | RZCJLMTXBMNRAD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14BrNO |
| Molecular Weight | 232.12 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.25 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
| 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
|
- | - | - | - | 84 |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1200705 |
| EPA CompTox | DTXSID0045961 |
| FDA SRS | 59IG47SZ0E |
| PubChem | 9377 |
| SureChEMBL | SCHEMBL221647 |
| ZINC | ZINC01690604 |