CX-4945

Ligand id: 8126

Name: CX-4945

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 75.11
Molecular weight 349.06
XLogP 3.98
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
CX-4945 induces apoptosis in cancer cells and inhibits molecular mechanisms underlying angoigenesis in HUVEC cells [3]. Low nanomolar IC50s are reported (in ascending value) for several other kinases including death-associated protein kinase 3 (DAPK3), fms-related tyrosine kinase 3 (FLT3), TANK-binding kinase 1 (TBK1), CDC-like kinase 3 (CLK3), homeodomain interacting protein kinase 3 (HIPK3), Pim-1 proto-oncogene (PIM1) and cyclin dependent kinase 1 (CDK1/cyclinB) [2].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
casein kinase 2, alpha 1 polypeptide subunit Inhibitor Inhibition 9.0 pIC50 - 2
pIC50 9.0 (IC50 1x10-9 M) [2]
casein kinase 2, alpha prime polypeptide subunit Inhibitor Inhibition 9.0 pIC50 - 2
pIC50 9.0 (IC50 1x10-9 M) [2]
death associated protein kinase 3 Inhibitor Inhibition 7.8 pIC50 - 2
pIC50 7.8 (IC50 1.7x10-8 M) [2]
homeodomain interacting protein kinase 3 Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 4.5x10-8 M) [2]
Pim-1 proto-oncogene, serine/threonine kinase Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 2.16x10-7 M) [1]