| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 7865D5D01M |
Structure
| InChI Key | WOCXQMCIOTUMJV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8N4O5 |
| Molecular Weight | 252.19 |
| AlogP | 0.42 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 132.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | 5960 | - | |
|
Enzyme
|
- | 890 | - | 5960 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL23330 |
| DrugBank | DB04253 |
| EPA CompTox | DTXSID00176335 |
| FDA SRS | 7865D5D01M |
| PDB | CB1 |
| PubChem | 89105 |
| SureChEMBL | SCHEMBL366755 |
| ZINC | ZINC000004475105 |
CONTENTS