DEXIBUPROFEN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC M01AE14
UNII 671DKG7P5S
EPA CompTox DTXSID9048724

Structure

InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Smiles CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18O2
Molecular Weight 206.28
AlogP 3.07
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 20
Enzyme Oxidoreductase
- 98.65-730 - - 29-90
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 100 - - 34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 98.65-730 - - 29-90
Mus musculus
- - - - 53-68.7
Rattus norvegicus
- - - - 20-30.3

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 43415
ChEMBL CHEMBL175
DrugBank DB09213
DrugCentral 3851
FDA SRS 671DKG7P5S
PDB IBP
PharmGKB PA166049174
PubChem 39912
SureChEMBL SCHEMBL43531
ZINC ZINC000000002647
CONTENTS