dinaciclib

Ligand id: 7379

Name: dinaciclib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 92.63
Molecular weight 396.23
XLogP 4.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
In in vivo mouse studies, dinaciclib treatment causes tumour inhibition in a dose responsive manner [5], and is active against many human tumour cell lines in vitro [5].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 5 Hs Inhibitor Inhibition 9.0 pIC50 - 5
pIC50 9.0 (IC50 1x10-9 M) [5]
cyclin dependent kinase 2 Hs Inhibitor Inhibition 8.7 – 9.0 pIC50 - 4-5
pIC50 9.0 (IC50 1x10-9 M) [5]
pIC50 8.7 (IC50 2x10-9 M) [4]
Description: Inhibition of CDK2/cyclin E complex.
cyclin dependent kinase 1 Hs Inhibitor Inhibition 8.5 pIC50 - 5
pIC50 8.5 (IC50 3x10-9 M) [5]
cyclin dependent kinase 9 Hs Inhibitor Inhibition 8.4 pIC50 - 5
pIC50 8.4 (IC50 4x10-9 M) [5]