LDC1267   Click here for help

GtoPdb Ligand ID: 8247

PDB Ligand
Compound class: Synthetic organic
Comment: LDC1267 is a selective inhibitor of TAM family kinases (Type XI receptor tyrosine kinases, TYRO3, Axl and MER) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 96.21
Molecular weight 560.19
XLogP 5.41
No. Lipinski's rules broken 1
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Canonical SMILES CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F
Isomeric SMILES CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F
InChI InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)
Bioactivity Comments
Reported off-targets include Met, Aurora B and Lck [1].
We have tagged Mer as the primary molecular target of this compound for data metrics purposes only, and fully acknowledge the compound's activity across the members of the TAM RTK family.
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 Primary target of this compound Hs Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]
TYRO3 protein tyrosine kinase Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8x10-9 M) [1]
AXL receptor tyrosine kinase Hs Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 2.9x10-8 M) [1]