| Synonyms: | |
| Status: | Approved (2000) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| ATC: | A07EC04 |
| UNII: | P80AL8J7ZP |
Structure
| InChI Key | IPOKCKJONYRRHP-FMQUCBEESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H15N3O6 |
| Molecular Weight | 357.32 |
| AlogP | 2.71 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 148.65 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class III
|
- | 3900-5300 | - | - | 11 |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 80573-04-2 |
| ChEBI | 267413 |
| ChEMBL | CHEMBL1201346 |
| DrugBank | DB01014 |
| DrugCentral | 284 |
| EPA CompTox | DTXSID7040653 |
| FDA SRS | P80AL8J7ZP |
| Human Metabolome Database | HMDB0015149 |
| SureChEMBL | SCHEMBL118300 |
| ZINC | ZINC000003952881 |
CONTENTS