DEXIBUPROFEN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M01AE14
UNII: 671DKG7P5S

Structure
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 20
Enzyme Oxidoreductase
- 1480-16150 - - 29-90
Enzyme
- 1480-16150 - - 29-90
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 100 - - 34

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fever 3 D005334 ClinicalTrials
Pain 2 D010146 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 51146-56-6
ChEBI 43415
ChEMBL CHEMBL175
DrugBank DB09213
DrugCentral 3851
EPA CompTox DTXSID9048724
FDA SRS 671DKG7P5S
PDB IBP
PharmGKB PA166049174
PubChem 39912
SureChEMBL SCHEMBL43531
ZINC ZINC000000002647
CONTENTS