| Synonyms: | |
| Status: | Approved (1977) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M05BA01 |
| UNII: | M2F465ROXU |
Structure
| InChI Key | DBVJJBKOTRCVKF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H8O7P2 |
| Molecular Weight | 206.03 |
| AlogP | -0.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 135.29 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 110000 | - | 3 | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -9.07--5.7 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pseudoxanthoma Elasticum | 3 | D011561 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 4907 |
| ChEMBL | CHEMBL871 |
| DrugBank | DB01077 |
| DrugCentral | 1098 |
| EPA CompTox | DTXSID6023028 |
| FDA SRS | M2F465ROXU |
| Human Metabolome Database | HMDB15210 |
| Guide to Pharmacology | 7184 |
| KEGG | C07736 |
| PDB | 911 |
| PharmGKB | PA449548 |
| PubChem | 3305 |
| SureChEMBL | SCHEMBL18607 |
| ZINC | ZINC000003830813 |
CONTENTS