alsterpaullone 2-cyanoethyl

Ligand id: 5926

Name: alsterpaullone 2-cyanoethyl

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 111.82
Molecular weight 346.11
XLogP 2.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 1 Inhibitor Inhibition 9.6 pIC50 - 2
pIC50 9.6 (IC50 2.3x10-10 M) [2]
Description: CDK1 in association with cyclin B
glycogen synthase kinase 3 beta Inhibitor Inhibition 9.1 pIC50 - 2
pIC50 9.1 (IC50 8x10-10 M) [2]