| Synonyms: | |
| Status: | Approved (2013) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | L49M066S0O |
Structure
| InChI Key | VVECGOCJFKTUAX-HUYCHCPVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H11FN2OS |
| Molecular Weight | 273.32 |
| AlogP | 3.85 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 45.15 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Diagnostic agent | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
|
- | - | - | 1-1 | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 76611 |
| ChEMBL | CHEMBL2042122 |
| DrugBank | DB09151 |
| DrugCentral | 4301 |
| EPA CompTox | DTXSID80227394 |
| FDA SRS | L49M066S0O |
| Guide to Pharmacology | 7342 |
| SureChEMBL | SCHEMBL10032147 |
| ZINC | ZINC000100096928 |
CONTENTS