| Synonyms: | |
| Status: | Approved (1962) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | U75VZ9PK1J |
| InChI Key | XLMALTXPSGQGBX-PGRDOPGGSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H29NO2 |
| Molecular Weight | 339.48 |
| AlogP | 4.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 29.54 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 12.4 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -18.31-0.07 | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 2754.23 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
|
15135.61-31622.78 | - | - | - | - |
| Resources | Reference |
|---|---|
| ChEBI | 51174 |
| ChEMBL | CHEMBL1738990 |
| DrugBank | DB06793 |
| DrugCentral | 1573 |
| EPA CompTox | DTXSID8023212 |
| FDA SRS | U75VZ9PK1J |
| PubChem | 200742 |
| SureChEMBL | SCHEMBL158770 |
| ZINC | ZINC000001530767 |