(R)-IBUPROPHEN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 99W8H60N62

Structure
InChI Key HEFNNWSXXWATRW-SNVBAGLBSA-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-/m1/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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 37
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 110 - - 30
Secreted protein
- 50 - - -

Cross References

Resources Reference
ChEBI 47835
ChEMBL CHEMBL427526
FDA SRS 99W8H60N62
PDB IZP
SureChEMBL SCHEMBL29057
ZINC ZINC000000113398
CONTENTS