DEXKETOPROFEN

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Synonyms
Status
Molecule Category Free-form
ATC M01AE17 M02AA27
UNII 6KD9E78X68

Structure

InChI Key DKYWVDODHFEZIM-NSHDSACASA-N
Smiles C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1

Physicochemical Descriptors

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

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 1.9-27 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 50 - - 52
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 50 - - 52
Rattus norvegicus
- - - - 42

Target Conservation

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

Related Entries

Cross References

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
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