| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | B01AA12 |
| UNII: | EQ35YMS20Q |
Structure
| InChI Key | NASXCEITKQITLD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H9FO2 |
| Molecular Weight | 240.23 |
| AlogP | 2.99 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 34.14 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 9600 | - | - | - |
Indications
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 957-56-2 |
| ChEBI | 134975 |
| ChEMBL | CHEMBL24924 |
| DrugBank | DB13136 |
| DrugCentral | 1194 |
| EPA CompTox | DTXSID1046211 |
| FDA SRS | EQ35YMS20Q |
| PubChem | 68942 |
| SureChEMBL | SCHEMBL309362 |
| ZINC | ZINC000100091724 |
CONTENTS