merestinib

Ligand id: 9841

Name: merestinib

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 106.31
Molecular weight 552.17
XLogP 6.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
MER proto-oncogene, tyrosine kinase Hs Inhibitor Inhibition 9.1 pKd - 4
pKd 9.1 (Kd 8x10-10 M) [4]
Description: Binding constant determined by KINOMEScan assay.
tyrosine kinase with immunoglobulin like and EGF like domains 1 Hs Inhibitor Inhibition 9.1 pKd - 4
pKd 9.1 (Kd 9x10-10 M) [4]
Description: Binding constant assessed by KINOMEScan assay.
discoidin domain receptor tyrosine kinase 1 Hs Inhibitor Inhibition 9.0 pKd - 4
pKd 9.0 (Kd 9.5x10-10 M) [4]
Description: Binding constant determined by KINOMEScan assay.
MET proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 8.7 pKi - 4
pKi 8.7 (Ki 2x10-9 M) [4]
TEK receptor tyrosine kinase Hs Inhibitor Inhibition 8.4 pIC50 - 4
pIC50 8.4 (IC50 4x10-9 M) [4]
Description: Inhibition of in vitro biochemical activity by EMD Millipore assay.
MET proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 8.3 pIC50 - 4
pIC50 8.3 (IC50 4.7x10-9 M) [4]
Description: Inhibition of in vitro biochemical activity by EMD Millipore assay.
AXL receptor tyrosine kinase Hs Inhibitor Inhibition 8.0 pIC50 - 4
pIC50 8.0 (IC50 1.1x10-8 M) [4]
Description: Inhibition of in vitro biochemical activity by EMD Millipore assay.
macrophage stimulating 1 receptor Hs Inhibitor Inhibition 7.9 pIC50 - 4
pIC50 7.9 (IC50 1.2x10-8 M) [4]
Description: Inhibition of in vitro biochemical activity by EMD Millipore assay.
fms related receptor tyrosine kinase 3 Hs Inhibitor Inhibition 7.5 pIC50 - 4
pIC50 7.5 (IC50 3.1x10-8 M) [4]
Description: Inhibition of in vitro biochemical activity by EMD Millipore assay.