| Synonyms: | |
| Status: | Approved (1996) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| ATC: | N03AB05 |
| UNII: | B4SF212641 |
Structure
| InChI Key | XWLUWCNOOVRFPX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15N2O6P |
| Molecular Weight | 362.28 |
| AlogP | 1.55 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 116.17 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -37.12--0.73 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Status Epilepticus | 3 | D013226 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93390-81-9 |
| ChEBI | 5165 |
| ChEMBL | CHEMBL1201336 |
| DrugBank | DB01320 |
| DrugCentral | 1247 |
| EPA CompTox | DTXSID9044299 |
| FDA SRS | B4SF212641 |
| Human Metabolome Database | HMDB15417 |
| Guide to Pharmacology | 7190 |
| KEGG | C07840 |
| PharmGKB | PA164746820 |
| PubChem | 56339 |
| SureChEMBL | SCHEMBL94254 |
| ZINC | ZINC000001530922 |
CONTENTS