dinaciclib

Ligand id: 7379

Name: dinaciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 92.63
Molecular weight 396.23
XLogP 2.01
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!)

Bioactivity Comments
In in vivo mouse studies, dinaciclib treatment causes tumour inhibition in a dose responsive manner [4], and is active against many human tumour cell lines in vitro [4].
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 9.0 pIC50 - 4
pIC50 9.0 (IC50 1x10-9 M) [4]
cyclin dependent kinase 5 Inhibitor Inhibition 9.0 pIC50 - 4
pIC50 9.0 (IC50 1x10-9 M) [4]
cyclin dependent kinase 1 Inhibitor Inhibition 8.5 pIC50 - 4
pIC50 8.5 (IC50 3x10-9 M) [4]
cyclin dependent kinase 9 Inhibitor Inhibition 8.4 pIC50 - 4
pIC50 8.4 (IC50 4x10-9 M) [4]