| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | MPF495B08R |
Structure
| InChI Key | RBNWAMSGVWEHFP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.27 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 12.71 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -8.47-1.83 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Blepharitis | 1 | D001762 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 179539 |
| ChEMBL | CHEMBL1651998 |
| EPA CompTox | DTXSID7023643 |
| FDA SRS | MPF495B08R |
| Human Metabolome Database | HMDB35595 |
| PubChem | 6651 |
| SureChEMBL | SCHEMBL19192 |
| ZINC | ZINC000000002137 |
CONTENTS