compound 2c [PMID: 24900538]

Ligand id: 8138

Name: compound 2c [PMID: 24900538]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 93.54
Molecular weight 381.17
XLogP 4.18
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
The interactions below are those with IC50s < 10nM. Compound 2c inhibits the activity of additional kinases with higher IC50 values (10-100nM) [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ABL proto-oncogene 1, non-receptor tyrosine kinase Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.2x10-9 M) [1]
FGR proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2.2x10-9 M) [1]
Bruton tyrosine kinase Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3.5x10-9 M) [1]
salt inducible kinase 1 Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5.5x10-9 M) [1]
phosphorylase kinase catalytic subunit gamma 2 Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6.1x10-9 M) [1]
testis specific serine kinase 2 Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.06x10-8 M) [1]
WNK lysine deficient protein kinase 3 Inhibitor Inhibition 7.0 pIC50 - 1
pIC50 7.0 (IC50 9.98x10-8 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
neurotrophic receptor tyrosine kinase 1 Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.4x10-9 M) [1]
fms related tyrosine kinase 3 Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2.1x10-9 M) [1]
fibroblast growth factor receptor 1 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.7x10-9 M) [1]