| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8Q21Y09R21 |
Structure
| InChI Key | YALKQBRWLMDVSA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9Br2NO2 |
| Molecular Weight | 371.03 |
| AlogP | 4.17 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Other cytosolic protein
|
- | 63000 | - | - | - | |
|
Unclassified protein
|
- | 61000 | - | - | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1801800 |
| EPA CompTox | DTXSID3042132 |
| FDA SRS | 8Q21Y09R21 |
| PubChem | 17404 |
| SureChEMBL | SCHEMBL1162534 |
| ZINC | ZINC000000537985 |
CONTENTS