Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | W7FHJ107MC |
InChI Key | KYXDNECMRLFQMZ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Depressive Disorder | 2 | D003866 | ClinicalTrials |
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 |