Ligand id: 8373

Name: vacquinol-1

Structure and Physico-chemical Properties

2D Structure
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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

No information available.
Mechanism Of Action and Pharmacodynamic Effects
Vacquinol-1 kills glioblastoma cells by inducing massive macropinicytosis which culminates in cell lysis. Markers of apoptotic cell death are not detected [1]. The molecular mechanism involves MAP kinase MKK4 (gene symbol MAP2K4). In vitro, vacquinol-1 is almost 80 times more potent than temozolomide (a current anti-GMB chemotherapeutic) in killing glioblastoma cells [1]. The anti-glioblastoma effect is evident in both a zebrafish xenograft model of glioblastoma and in a mouse model of human glioblastoma. The compound was effective in the mouse model when administered orally as well as by intracranial injection [1].