ningetinib   Click here for help

GtoPdb Ligand ID: 11624

Synonyms: CT-053 | CT053 | CT053PTSA | Example 1 [US9133162]
Compound class: Synthetic organic
Comment: Ningetinib (CT053) is an oral small molecule multiple tyrosine kinase inhibitor. It inhibits c-Met, VEGFR2, Axl, Mer, RON and FLT3.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 107.09
Molecular weight 556.21
XLogP 4.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1cc(ccc1Oc1ccnc2c1ccc(c2)OCC(O)(C)C)NC(=O)c1c(C)n(n(c1=O)c1ccccc1)C
Isomeric SMILES Fc1cc(ccc1Oc1ccnc2c1ccc(c2)OCC(O)(C)C)NC(=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)
InChI Key VQYYQSZNRVQLIS-UHFFFAOYSA-N
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
AXL receptor tyrosine kinase Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1.1x10-8 M) [1]
MET proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.9x10-8 M) [1]
kinase insert domain receptor Hs Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.7x10-8 M) [1]