taletrectinib   Click here for help

GtoPdb Ligand ID: 11198

Synonyms: AB-106 | AB106 | DS-6051b | DS6051b
Compound class: Synthetic organic
Comment: Taletrectinib (DS-6051b) is a next-generation selective ROS1/NTRK inhibitor [2]. It was designed to treat ROS1- or NTRK-rearranged cancers. DS-6051b is able to inhibit the ROS1G2032R mutation that confers resistance to crizotinib, lorlatinib and entrectinib. The compound originates from Daiichi Sankyo and has been licensed to AnHeart.
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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 7
Topological polar surface area 77.47
Molecular weight 405.2
XLogP 5.18
No. Lipinski's rules broken 1
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Canonical SMILES CC(COc1ccc(cc1)c1cnc2n1nc(cc2)NC(c1cccc(c1)F)C)N
Isomeric SMILES CC(COc1ccc(cc1)c1cnc2n1nc(cc2)NC(c1cccc(c1)F)C)N
InChI InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)
Bioactivity Comments
In addition to ROS1 and NTRKs, 200 nM DS-6051b almost completely inhibited ACK, ALK, DDR1, and LTK [2].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
c-ros oncogene 1, receptor tyrosine kinase Hs Inhibitor Inhibition 9.7 pIC50 - 2
pIC50 9.7 (IC50 2x10-10 M) [2]
neurotrophic receptor tyrosine kinase 1 Hs Inhibitor Inhibition 9.2 pIC50 - 2
pIC50 9.2 (IC50 6.2x10-10 M) [2]
neurotrophic receptor tyrosine kinase 3 Hs Inhibitor Inhibition 9.0 pIC50 - 2
pIC50 9.0 (IC50 9.8x10-10 M) [2]
neurotrophic receptor tyrosine kinase 2 Hs Inhibitor Inhibition 8.6 pIC50 - 2
pIC50 8.6 (IC50 2.28x10-9 M) [2]