| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 0G32E321W1 |
Structure
| InChI Key | JMZOMFYRADAWOG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H18O10 |
| Molecular Weight | 418.35 |
| AlogP | 2.4 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 107.98 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 22.09-24.8 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -22.38--10.49 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Liver Cirrhosis | 1 | D008103 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
| Fibrosis | 1 | D005355 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL105184 |
| EPA CompTox | DTXSID40223736 |
| FDA SRS | 0G32E321W1 |
| PubChem | 108213 |
| SureChEMBL | SCHEMBL896166 |
| ZINC | ZINC000012153845 |
CONTENTS