| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5XL19F49H6 |
Structure
| InChI Key | PHEZJEYUWHETKO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H15F2NO2 |
| Molecular Weight | 375.37 |
| AlogP | 5.85 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.19 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 1-40 | - | 12 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 96187-53-0 |
| ChEMBL | CHEMBL38434 |
| DrugBank | DB03523 |
| EPA CompTox | DTXSID00242165 |
| FDA SRS | 5XL19F49H6 |
| Guide to Pharmacology | 7406 |
| PDB | BRF |
| PubChem | 57030 |
| SureChEMBL | SCHEMBL49400 |
| ZINC | ZINC000001587011 |
CONTENTS