| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1986) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AE09 |
| UNII: | 5GRO578KLP |
Structure
| InChI Key | SYTBZMRGLBWNTM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.26 |
| AlogP | 3.68 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cyclooxygenase inhibitor |
| Primary Target | |
|---|---|
| COX-1 | |
| COX-2 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Auxiliary transport protein
Fatty acid binding protein family
|
- | - | - | 1180-222000 | - | |
|
Enzyme
Hydrolase
|
- | - | - | - | 0.8017 | |
|
Enzyme
Oxidoreductase
|
- | 10-1995.26 | - | 1000 | 86 | |
|
Enzyme
Transferase
|
- | - | - | - | 13.74-19.19 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 4.03-13.41 | |
|
Ion channel
Ligand-gated ion channel
Acid-sensing ion channel
|
- | 169824.37 | - | - | - | |
|
Membrane receptor
|
- | 305000 | - | - | 7.29-30 | |
|
Secreted protein
|
- | - | - | 331131121482590.75 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 227.02 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 1500 | - | - | 100 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 724700 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pharyngitis | 3 | D010612 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Periodontitis | 2 | D010518 | ClinicalTrials |
| Low Back Pain | 2 | D017116 | ClinicalTrials |
| Anemia, Sickle Cell | 1 | D000755 | ClinicalTrials |
| Arthritis, Rheumatoid | 1 | D001172 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
| Anemia | 1 | D000740 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
| Mitochondrial Diseases | 1 | D028361 | ClinicalTrials |
| Fractures, Bone | 1 | D050723 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5104-49-4 |
| ChEBI | 5130 |
| ChEMBL | CHEMBL563 |
| DrugBank | DB00712 |
| DrugCentral | 1219 |
| EPA CompTox | DTXSID0037231 |
| FDA SRS | 5GRO578KLP |
| Human Metabolome Database | HMDB14850 |
| Guide to Pharmacology | 4194 |
| KEGG | D00330 |
| PDB | FLP |
| PharmGKB | PA449683 |
| PubChem | 3394 |
| SureChEMBL | SCHEMBL2248 |
| ZINC | ZINC00008667 |
CONTENTS