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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

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]