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 |