| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | A14AA07 G03XX01 |
| UNII | 459AG36T1B |
| EPA CompTox | DTXSID4020379 |
| InChI Key | FMGSKLZLMKYGDP-USOAJAOKSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H28O2 |
| Molecular Weight | 288.43 |
| AlogP | 3.88 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 37.3 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 21.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 5.7-12.1 | |
|
Secreted protein
|
- | - | 14.45 | - | - |
| Resources | Reference |
|---|---|
| ChEBI | 28689 |
| ChEMBL | CHEMBL90593 |
| DrugBank | DB01708 |
| DrugCentral | 795 |
| FDA SRS | 459AG36T1B |
| Human Metabolome Database | HMDB0000077 |
| Guide to Pharmacology | 2370 |
| KEGG | C01227 |
| PDB | AND |
| PharmGKB | PA451993 |
| PubChem | 5881 |
| SureChEMBL | SCHEMBL24156 |
| ZINC | ZINC000003807917 |