| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1966) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01AX02 |
| UNII: | 6Q99RDT97R |
Structure
| InChI Key | NJBFOOCLYDNZJN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H16Br2N2O2 |
| Molecular Weight | 356.06 |
| AlogP | 1.23 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 40.62 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA inhibitor | PubMed |
| 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
|
- | - | - | - | 63 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Polycythemia Vera | 3 | D011087 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54-91-1 |
| ChEBI | 8242 |
| ChEMBL | CHEMBL1585 |
| DrugBank | DB00236 |
| DrugCentral | 2192 |
| EPA CompTox | DTXSID7023485 |
| FDA SRS | 6Q99RDT97R |
| Human Metabolome Database | HMDB0014381 |
| Guide to Pharmacology | 7271 |
| KEGG | C07362 |
| PharmGKB | PA164747673 |
| PubChem | 4842 |
| SureChEMBL | SCHEMBL4889 |
| ZINC | ZINC000001530753 |
CONTENTS