| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | A06AD16 B05BC01 B05CX04 R05CB16 V04CX04 |
| UNII | 3OWL53L36A |
| EPA CompTox | DTXSID30858955 |
| InChI Key | FBPFZTCFMRRESA-KVTDHHQDSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O6 |
| Molecular Weight | 182.17 |
| AlogP | -3.59 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 121.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 29 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - |
| Resources | Reference |
|---|---|
| ChEBI | 16899 |
| ChEMBL | CHEMBL689 |
| DrugBank | DB00742 |
| DrugCentral | 935 |
| FDA SRS | 3OWL53L36A |
| Human Metabolome Database | HMDB0000765 |
| KEGG | C00392 |
| PDB | MTL |
| PubChem | 6251 |
| SureChEMBL | SCHEMBL919 |
| ZINC | ZINC000002041302 |