| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | J05AX06 |
| UNII | 9H4570Q89D |
| EPA CompTox | DTXSID8057649 |
| InChI Key | KQOXLKOJHVFTRN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H18F3N3O3 |
| Molecular Weight | 381.35 |
| AlogP | 4.68 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 74.18 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 27.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| VP1 capsid protein disrupting agent | DISRUPTING AGENT | PubMed PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Cysteine protease
Cysteine protease PAC clan
Cysteine protease C3A subfamily
|
58 | - | - | - | - | |
|
Structural protein
|
4-490 | - | - | - | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
251.19 | - | - | - | - |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL29609 |
| DrugBank | DB05105 |
| DrugCentral | 4690 |
| FDA SRS | 9H4570Q89D |
| PDB | W11 |
| PubChem | 1684 |
| SureChEMBL | SCHEMBL49383 |
| ZINC | ZINC000001537619 |