| Synonyms: | |
| Status: | Approved (1990) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 936JST6JCN |
Structure
| InChI Key | BXWNKGSJHAJOGX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H34O |
| Molecular Weight | 242.45 |
| AlogP | 5.46 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 20.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Surfactant |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -6.97-6.62 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16125 |
| ChEMBL | CHEMBL706 |
| DrugBank | DB09494 |
| DrugCentral | 4750 |
| EPA CompTox | DTXSID4027991 |
| FDA SRS | 936JST6JCN |
| Human Metabolome Database | HMDB03424 |
| PDB | PL3 |
| PubChem | 2682 |
| SureChEMBL | SCHEMBL3381 |
| ZINC | ZINC000008214519 |
CONTENTS