| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | W7FHJ107MC |
Structure
| InChI Key | KYXDNECMRLFQMZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H13ClFN3O3S |
| Molecular Weight | 381.82 |
| AlogP | 2.99 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 87.21 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cyclooxygenase-2 inhibitor | EMA ClinicalTrials |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 5-100 | - | - | 100-100 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder | 2 | D003866 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 265114-23-6 |
| ChEBI | 76127 |
| ChEMBL | CHEMBL435381 |
| DrugBank | DB05095 |
| EPA CompTox | DTXSID30181093 |
| FDA SRS | W7FHJ107MC |
| PubChem | 213053 |
| SureChEMBL | SCHEMBL3123310 |
| ZINC | ZINC000001494105 |
CONTENTS