| Synonyms: | |
| Status: | Approved Withdrawn (2007) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M01AH06 |
| UNII: | V91T9204HU |
Structure
| InChI Key | KHPKQFYUPIUARC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H13ClFNO2 |
| Molecular Weight | 293.73 |
| AlogP | 4.16 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Primary Target | |
|---|---|
| COX-2 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 7-140 | - | 320 | 15-100 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteoarthritis | 3 | D010003 | ClinicalTrials |
| Arthritis, Rheumatoid | 3 | D001172 | ClinicalTrials |
| Osteoarthritis, Hip | 3 | D015207 | ClinicalTrials |
| Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 220991-20-8 |
| ChEBI | 73044 |
| ChEMBL | CHEMBL404108 |
| DrugBank | DB01283 |
| DrugCentral | 1618 |
| EPA CompTox | DTXSID9049035 |
| FDA SRS | V91T9204HU |
| Human Metabolome Database | HMDB0015403 |
| Guide to Pharmacology | 2897 |
| PDB | LUR |
| PharmGKB | PA164769031 |
| PubChem | 151166 |
| SureChEMBL | SCHEMBL4479 |
| ZINC | ZINC000000007563 |
CONTENTS