cerdulatinib

Ligand id: 8957

Name: cerdulatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 141.93
Molecular weight 445.19
XLogP 1.19
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 a kinase selectivity screen of 270 purified enzymes, 24 enzymes were inhibited by >80%, 22 of which had IC50 values <100nM, and 17 ≤20nM [1].
The IC50 values in the table below are derived from a biochemical assay using purified enzymes, and do not in all cases translate directly to cellular potency [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
tyrosine kinase 2 Inhibitor Inhibition 9.3 pIC50 - 1
pIC50 9.3 (IC50 5x10-10 M) [1]
NUAK family kinase 1 Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
serine/threonine kinase 4 Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
mitogen-activated protein kinase kinase kinase 9 Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]
AMP kinase Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
Janus kinase 2 Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
Janus kinase 3 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8x10-9 M) [1]
Janus kinase 1 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.2x10-8 M) [1]
spleen associated tyrosine kinase Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.2x10-8 M) [1]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
colony stimulating factor 1 receptor Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]