| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 7ZU5I25S2O |
Structure
| InChI Key | IPBCWPPBAWQYOO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H32O2S |
| Molecular Weight | 288.5 |
| AlogP | 5.51 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 15.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 45.31 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -4.11-6.3 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 94633 |
| ChEMBL | CHEMBL187734 |
| EPA CompTox | DTXSID0040759 |
| FDA SRS | 7ZU5I25S2O |
| PDB | T4T |
| PubChem | 114924 |
| SureChEMBL | SCHEMBL207756 |
| ZINC | ZINC000008035065 |
CONTENTS