| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AH04 |
| UNII: | 9TUW81Y3CE |
Structure
| InChI Key | TZRHLKRLEZJVIJ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H18N2O4S |
| Molecular Weight | 370.43 |
| AlogP | 3.53 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 89.27 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 5 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Fractures, Bone | 3 | D050723 | ClinicalTrials |
| Renal Colic | 3 | D056844 | ClinicalTrials |
| Shoulder Pain | 2 | D020069 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 198470-84-7 |
| ChEBI | 73038 |
| ChEMBL | CHEMBL1206690 |
| DrugBank | DB08439 |
| DrugCentral | 2063 |
| EPA CompTox | DTXSID1044229 |
| FDA SRS | 9TUW81Y3CE |
| Guide to Pharmacology | 2895 |
| PDB | PXB |
| PharmGKB | PA166049193 |
| PubChem | 119828 |
| SureChEMBL | SCHEMBL9529 |
| ZINC | ZINC000005761797 |
CONTENTS