| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A03AX08 |
| UNII: | 46TIR1560O |
Structure
| InChI Key | ZPFXAOWNKLFJDN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H27N |
| Molecular Weight | 281.44 |
| AlogP | 4.57 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 3.24 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ACTIVATOR | Hepatocyte nuclear factor 4-alpha activator |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -5.94-5.07 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension, Portal | 2 | D006975 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 518413 |
| ChEMBL | CHEMBL253371 |
| DrugBank | DB01616 |
| DrugCentral | 142 |
| EPA CompTox | DTXSID0048557 |
| FDA SRS | 46TIR1560O |
| Human Metabolome Database | HMDB15554 |
| PharmGKB | PA164764505 |
| PubChem | 3678 |
| SureChEMBL | SCHEMBL83067 |
| ZINC | ZINC000001481966 |
CONTENTS