| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | J01XX08 |
| UNII | ISQ9I6J12J |
| EPA CompTox | DTXSID5046489 |
| InChI Key | TYZROVQLWOKYKF-ZDUSSCGKSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H20FN3O4 |
| Molecular Weight | 337.35 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 71.11 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 24.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 5.7 | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 6.79-76 |
| Resources | Reference |
|---|---|
| ChEBI | 63607 |
| ChEMBL | CHEMBL126 |
| DrugBank | DB00601 |
| DrugCentral | 1584 |
| FDA SRS | ISQ9I6J12J |
| Human Metabolome Database | HMDB0014739 |
| Guide to Pharmacology | 10827 |
| KEGG | C08146 |
| PDB | ZLD |
| PharmGKB | PA450233 |
| PubChem | 441401 |
| SureChEMBL | SCHEMBL5027 |
| ZINC | ZINC000002008866 |