L6H21

Ligand id: 9027

Name: L6H21

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 44.76
Molecular weight 298.12
XLogP 3.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Database Links
ChEMBL Ligand CHEMBL2013139
PubChem CID 534637
Search Google for chemical match using the InChIKey IECVLMVZGCYCSZ-FMIVXFBMSA-N
Search Google for chemicals with the same backbone IECVLMVZGCYCSZ
Search UniChem for chemical match using the InChIKey IECVLMVZGCYCSZ-FMIVXFBMSA-N
Search UniChem for chemicals with the same backbone IECVLMVZGCYCSZ
Comments
Bnding affinity of L6H21 to MD-2 protein was analysed and effects on MAPK and NF-κB signalling were determined. Anti-inflammatory effects were evaluated in septic C57BL/6 mice. Results imply L6H21 has potential for treatment of sepsis and MD-2 (LY96) is an important therapeutic target for inflammatory disorders [1].