| Synonyms: | |
| Status: | Approved (1991) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M05BA03 |
| UNII: | OYY3447OMC |
Structure
| InChI Key | WRUUGTRCQOWXEG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H11NO7P2 |
| Molecular Weight | 235.07 |
| AlogP | -1.66 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 6.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 161.31 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 13.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 200-1932 | - | 55.9-331.4 | - | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -0.32-1.09 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Myeloma | 3 | D009101 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Osteoporosis | 1 | D010024 | ClinicalTrials |
| Low Back Pain | 1 | D017116 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 7903 |
| ChEMBL | CHEMBL834 |
| DrugBank | DB00282 |
| DrugCentral | 2048 |
| EPA CompTox | DTXSID4023414 |
| FDA SRS | OYY3447OMC |
| Human Metabolome Database | HMDB14427 |
| Guide to Pharmacology | 7259 |
| KEGG | C07395 |
| PDB | 210 |
| PharmGKB | PA450767 |
| PubChem | 44400012 |
| SureChEMBL | SCHEMBL18361 |
| ZINC | ZINC000003812862 |
CONTENTS