Ligand id: 8373

Name: vacquinol-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 45.15
Molecular weight 352.13
XLogP 4.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Vacquinol-1 is reported to selectively reduce viability of patient-derived glioblastoma cells, with an IC50 of 2.36µM [1].