| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 990S25980Y |
Structure
| InChI Key | VVIAGPKUTFNRDU-STQMWFEESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H23N7O7 |
| Molecular Weight | 473.45 |
| AlogP | -0.73 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 7.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 219.84 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -1.03-3.47 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Colorectal Neoplasms | 4 | D015179 | ClinicalTrials |
| Colorectal Neoplasms | 4 | D015179 | ClinicalTrials |
| Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
| Rectal Neoplasms | 2 | D012004 | ClinicalTrials |
| Stomach Neoplasms | 2 | D013274 | ClinicalTrials |
| Colonic Neoplasms | 1 | D003110 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68538-85-2 |
| ChEBI | 15640 |
| ChEMBL | CHEMBL1908841 |
| DrugBank | DB00650 |
| DrugCentral | 4384 |
| EPA CompTox | DTXSID4023204 |
| FDA SRS | 990S25980Y |
| PDB | FOZ |
| PubChem | 149436 |
| SureChEMBL | SCHEMBL571901 |
| ZINC | ZINC000009212427 |
CONTENTS