Ligand id: 9354

Name: DDR-IN-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 73.91
Molecular weight 552.23
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
In cells, DDR1-IN-1 inhibits basal DDR1 autophosphorylation with an EC50 of 86nM, but does not have a significant antiproliferative effect on DDR1 deregulated cancer cell lines below 10μM [1].
KinomeScan assessment revealed DDR1-IN-1 binding to ABL, KIT, and PDGFRβ, but this did not translate to enzyme inhibition.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
discoidin domain receptor tyrosine kinase 1 Hs Inhibitor Inhibition 7.0 pIC50 - 1
pIC50 7.0 (IC50 1.05x10-7 M) [1]
Description: In a Lanthascreen enzyme assay
discoidin domain receptor tyrosine kinase 2 Hs Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 4.13x10-7 M) [1]
Description: In a Lanthascreen enzyme assay