| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | D01AE12 S01BC08 |
| UNII | O414PZ4LPZ |
| EPA CompTox | DTXSID7026368 |
| InChI Key | YGSDEFSMJLZEOE-UHFFFAOYSA-N | |
|---|---|---|
| Smiles | ||
| InChI |
|
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C7H6O3 | |
| Molecular Weight | 138.12 | |
| AlogP | 1.09 | |
| Hydrogen Bond Acceptor | 2.0 | |
| Hydrogen Bond Donor | 2.0 | |
| Number of Rotational Bond | 1.0 | |
| Polar Surface Area | 57.53 | |
| Molecular species | ACID | |
| Aromatic Rings | 1.0 | |
| Heavy Atoms | 10.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 6-92.9 | ||
|
Enzyme
Oxidoreductase
|
- | - | - | - | 0-97 | ||
|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M34 family
|
- | - | - | - | 6 | ||
|
Enzyme
Protease
Metallo protease
Metallo protease MAM clan
Metallo protease M10A subfamily
|
- | - | - | - | -2-14 | ||
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 84.99-86.64 | ||
|
Enzyme
|
- | - | - | - | 0-97 |
| Resources | Reference | |
|---|---|---|
| ChEBI | 16914 | |
| ChEMBL | CHEMBL424 | |
| DrugBank | DB00936 | |
| DrugCentral | 2416 | |
| FDA SRS | O414PZ4LPZ | |
| Human Metabolome Database | HMDB0001895 | |
| Guide to Pharmacology | 4306 | |
| KEGG | C00805 | |
| PDB | SAL | |
| PharmGKB | PA451299 | |
| PubChem | 338 | |
| SureChEMBL | SCHEMBL16880297 | |
| ZINC | ZINC000000001554 |