Synonyms | |
Status | |
Molecule Category | UNKNOWN |
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 |
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Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756 |
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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 |