| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 7O62J06F18 |
Structure
| InChI Key | LGZKGOGODCLQHG-CYBMUJFWSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H22O6 |
| Molecular Weight | 334.37 |
| AlogP | 2.7 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 77.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Structural protein
|
- | 5000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL246600 |
| DrugBank | DB12596 |
| EPA CompTox | DTXSID80897571 |
| FDA SRS | 7O62J06F18 |
| PubChem | 9895264 |
| SureChEMBL | SCHEMBL19955 |
| ZINC | ZINC000001607492 |
CONTENTS