DEXKETOPROFEN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M01AE17
UNII: 6KD9E78X68

Structure
InChI Key DKYWVDODHFEZIM-NSHDSACASA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 22161-81-5
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
CONTENTS