| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 48TCX9A1VT |
Structure
| InChI Key | LEVWYRKDKASIDU-IMJSIDKUSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12N2O4S2 |
| Molecular Weight | 240.31 |
| AlogP | -0.81 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 126.64 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -15.34--2.86 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16283 |
| ChEMBL | CHEMBL590540 |
| DrugBank | DB00138 |
| DrugCentral | 4130 |
| EPA CompTox | DTXSID2046418 |
| FDA SRS | 48TCX9A1VT |
| Human Metabolome Database | HMDB00192 |
| Guide to Pharmacology | 5413 |
| KEGG | C00491 |
| PDB | IYY |
| PharmGKB | PA449176 |
| PubChem | 67678 |
| SureChEMBL | SCHEMBL10226 |
| ZINC | ZINC000001532673 |
CONTENTS