Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | M01AE17 M02AA27 |
UNII | 6KD9E78X68 |
InChI Key | DKYWVDODHFEZIM-NSHDSACASA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C16H14O3 | |
Molecular Weight | 254.29 | |
AlogP | 3.11 | |
Hydrogen Bond Acceptor | 2.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 4.0 | |
Polar Surface Area | 54.37 | |
Molecular species | ACID | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 19.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Cyclooxygenase inhibitor | INHIBITOR | PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed |
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 1 Organism : Homo sapiens P23219 ENSG00000095303 |
||||
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756 |
||||
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 2 | - | - | - | ||
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CXC chemokine receptor
|
- | 50 | - | - | 52 |
Resources | Reference | |
---|---|---|
ChEBI | 76128 | |
ChEMBL | CHEMBL75435 | |
DrugBank | DB09214 | |
DrugCentral | 833 | |
FDA SRS | 6KD9E78X68 | |
Human Metabolome Database | HMDB0041873 | |
PDB | 9KL | |
PharmGKB | PA166049175 | |
PubChem | 667550 | |
SureChEMBL | SCHEMBL66987 | |
ZINC | ZINC000000005560 |