| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | X7OI7JF73P |
Structure
| InChI Key | CFZXDJWFRVEWSR-BUHFOSPRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H10N2O8S2 |
| Molecular Weight | 422.4 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 166.94 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | - | - | - | 12 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Brain Neoplasms | 1 | D001932 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 90117 |
| ChEMBL | CHEMBL1091250 |
| DrugBank | DB11577 |
| DrugCentral | 4575 |
| FDA SRS | X7OI7JF73P |
| Human Metabolome Database | HMDB0059912 |
| SureChEMBL | SCHEMBL2732840 |
| ZINC | ZINC000100005073 |
CONTENTS