nintedanib

Ligand id: 5936

Name: nintedanib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 94.22
Molecular weight 539.25
XLogP 4.98
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
Nintedanib is active in vivo, its effects observed as decreased vessel density and integrity and significant growth inhibition [2]. Nintedanib is rapidly metabolised to BIBF-1202 [4].
We have tagged FLT4 (VEGFR-3) as this drug's primary molecular target for data metrics purposes only. We fully acknowledge the multi-targeted nature of nintedanib and include reported kinase interactions in the table below.
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
fms related tyrosine kinase 4 Inhibitor Inhibition 7.9 pIC50 - 2
pIC50 7.9 (IC50 1.3x10-8 M) [2]
kinase insert domain receptor Inhibitor Inhibition 7.7 pIC50 - 2
pIC50 7.7 (IC50 2.1x10-8 M) [2]
fms related tyrosine kinase 1 Inhibitor Inhibition 7.5 pIC50 - 2
pIC50 7.5 (IC50 3.1x10-8 M) [2]
fibroblast growth factor receptor 2 Inhibitor Inhibition 7.4 pIC50 - 2
pIC50 7.4 (IC50 3.7x10-8 M) [2]
platelet derived growth factor receptor alpha Inhibitor Inhibition 7.2 pIC50 - 2
pIC50 7.2 (IC50 5.9x10-8 M) [2]
platelet derived growth factor receptor beta Inhibitor Inhibition 7.2 pIC50 - 2
pIC50 7.2 (IC50 6.5x10-8 M) [2]
fibroblast growth factor receptor 1 Inhibitor Inhibition 7.2 pIC50 - 2
pIC50 7.2 (IC50 6.9x10-8 M) [2]
fibroblast growth factor receptor 3 Inhibitor Inhibition 7.0 pIC50 - 2
pIC50 7.0 (IC50 1.08x10-7 M) [2]
fibroblast growth factor receptor 4 Inhibitor Inhibition 6.2 pIC50 - 2
pIC50 6.2 (IC50 6.1x10-7 M) [2]