| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M01AC05 |
| UNII: | ER09126G7A |
| InChI Key | WLHQHAUOOXYABV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10ClN3O4S2 |
| Molecular Weight | 371.83 |
| AlogP | 2.3 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 99.6 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cyclooxygenase inhibitor | Other |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 7560 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Alzheimer Disease | 2 | D000544 | ClinicalTrials |
| Migraine Disorders | 2 | D008881 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 70374-39-9 |
| ChEBI | 31783 |
| ChEMBL | CHEMBL1569487 |
| DrugBank | DB06725 |
| DrugCentral | 1609 |
| FDA SRS | ER09126G7A |
| PubChem | 54690031 |
| SureChEMBL | SCHEMBL35101 |
| ZINC | ZINC000100015491 |