| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5X5HB3VZ3Z |
Structure
| InChI Key | JTMITOKKUMVWRT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H20N2O3S |
| Molecular Weight | 356.45 |
| AlogP | 3.5 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 74.32 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cyclooxygenase-2 inhibitor | PubMed |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 197904-84-0 |
| ChEMBL | CHEMBL1835207 |
| DrugBank | DB12378 |
| EPA CompTox | DTXSID60173502 |
| FDA SRS | 5X5HB3VZ3Z |
| PubChem | 9820073 |
| SureChEMBL | SCHEMBL346028 |
CONTENTS