| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 01Y4A2QXY0 |
Structure
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O3 |
| Molecular Weight | 126.11 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 60.69 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 9.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Adhesion
|
- | - | - | - | 14 | |
|
Enzyme
Hydrolase
|
- | - | - | - | 49 | |
|
Enzyme
Lyase
|
- | - | - | 4390 | - | |
|
Enzyme
Oxidoreductase
|
- | 4000 | - | - | 57 | |
|
Enzyme
Protease
Metallo protease
Metallo protease MG clan
Metallo protease M24A subfamily
|
- | - | - | - | 37 | |
|
Enzyme
|
- | 4000 | - | 4390 | 37 | |
|
Unclassified protein
|
- | 2000 | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16164 |
| ChEMBL | CHEMBL307145 |
| EPA CompTox | DTXSID6025983 |
| FDA SRS | 01Y4A2QXY0 |
| Human Metabolome Database | HMDB0013674 |
| KEGG | C01108 |
| PDB | PYG |
| PubChem | 1057 |
| SureChEMBL | SCHEMBL3532 |
| ZINC | ZINC000000330141 |
CONTENTS