Synonyms: | |
Status: | Approved Withdrawn (2007) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | M01AH06 |
UNII: | V91T9204HU |
InChI Key | KHPKQFYUPIUARC-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
Primary Target | |
---|---|
COX-2 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 7-140 | - | 320 | 15-100 |
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 |
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 |