| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | B669M62ELP |
| InChI Key | SULYVXZZUMRQAX-NSHDSACASA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H15F3N4O4 |
| Molecular Weight | 408.34 |
| AlogP | 2.82 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 87.91 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2E
Cytochrome P450 2E1
|
- | 9600 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Bacterial Infections | 2 | D001424 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3287379 |
| DrugBank | DB12796 |
| FDA SRS | B669M62ELP |
| Guide to Pharmacology | 10795 |
| PDB | ZC0 |
| PubChem | 25184541 |
| SureChEMBL | SCHEMBL5945221 |