| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 11267UI968 |
Structure
| InChI Key | AALSSIXXBDPENJ-FYWRMAATSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.47 |
| AlogP | 4.11 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 89.9 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA-(apurinic or apyrimidinic site) lyase inhibitor | Other |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 10000-10000 | 2 | - | 67 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL578390 |
| FDA SRS | 11267UI968 |
| SureChEMBL | SCHEMBL3758716 |
| ZINC | ZINC000014252145 |
CONTENTS