| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | D10AX03 |
| UNII | F2VW3D43YT |
| EPA CompTox | DTXSID8021640 |
| InChI Key | BDJRBEYXGGNYIS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.22 |
| AlogP | 1.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 74.6 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 13.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 8 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 100.44-107.22 |
| Resources | Reference |
|---|---|
| ChEBI | 48131 |
| ChEMBL | CHEMBL1238 |
| DrugBank | DB00548 |
| DrugCentral | 270 |
| FDA SRS | F2VW3D43YT |
| Human Metabolome Database | HMDB0000784 |
| Guide to Pharmacology | 7484 |
| KEGG | C08261 |
| PDB | AZ1 |
| PharmGKB | PA164754850 |
| PubChem | 2266 |
| SureChEMBL | SCHEMBL3887 |
| ZINC | ZINC000001531036 |