bohemine

Ligand id: 5938

Name: bohemine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 87.89
Molecular weight 340.2
XLogP 3.69
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
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 2 Inhibitor Inhibition 6.2 pIC50 - 3
pIC50 6.2 (IC50 6x10-7 M) [3]
Description: CDK2/cyclin E complexes purified from sf9 cells.
cyclin dependent kinase 1 Inhibitor Inhibition 6.0 pIC50 - 3
pIC50 6.0 (IC50 1.1x10-6 M) [3]
Description: CDK1/cyclin B complexes purified from sf9 cells