| Synonyms: | |
| Status: | Approved (1976) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AE04 |
| UNII: | RA33EAC7KY |
| InChI Key | RDJGLLICXDHJDY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.27 |
| AlogP | 3.67 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 26300 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 160 |
| Resources | Reference |
|---|---|
| ChEBI | 5004 |
| ChEMBL | CHEMBL1297 |
| DrugBank | DB00573 |
| DrugCentral | 1154 |
| EPA CompTox | DTXSID9023045 |
| FDA SRS | RA33EAC7KY |
| Human Metabolome Database | HMDB0014713 |
| Guide to Pharmacology | 4820 |
| KEGG | C06997 |
| PharmGKB | PA449597 |
| PubChem | 3342 |
| SureChEMBL | SCHEMBL3797 |