| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M02AA08 |
| UNII: | 94WNJ5U8L7 |
Structure
| InChI Key | QRZAKQDHEVVFRX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.25 |
| AlogP | 2.98 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 8200 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Thromboembolism | 3 | D013923 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Acute Kidney Injury | 1 | D058186 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31597 |
| ChEMBL | CHEMBL413965 |
| DrugBank | DB07477 |
| DrugCentral | 1141 |
| EPA CompTox | DTXSID0045389 |
| FDA SRS | 94WNJ5U8L7 |
| PDB | BP4 |
| PharmGKB | PA166049177 |
| PubChem | 3332 |
| SureChEMBL | SCHEMBL26084 |
| ZINC | ZINC000000002318 |
CONTENTS