Ligand id: 9028

Name: 3beta-Hydroxy-20(29)-lupene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 20.23
Molecular weight 426.39
XLogP 11.9
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
No direct binding targets were identified but the authors propose that Lupeol acts through a specific receptor and down-stream signaling pathways, such as p38 MAPK, inhibits IRF5 and possibly other transcription factors critical for M1 polarization, resulting in decreased expression of M1 genes and enhanced expression of M2 genes, thereby causing an M1 to M2 switch [2].