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)
1. Fujiwara Y, Takeda M, Yamamoto N, Nakagawa K, Nosaki K, Toyozawa R, Abe C, Shiga R, Nakamaru K, Seto T. (2018)
Safety and pharmacokinetics of DS-6051b in Japanese patients with non-small cell lung cancer harboring ROS1 fusions: a phase I study.
Oncotarget, 9 (34): 23729-23737. [PMID:29805770]
2. Katayama R, Gong B, Togashi N, Miyamoto M, Kiga M, Iwasaki S, Kamai Y, Tominaga Y, Takeda Y, Kagoshima Y et al.. (2019)
The new-generation selective ROS1/NTRK inhibitor DS-6051b overcomes crizotinib resistant ROS1-G2032R mutation in preclinical models.
Nat Commun, 10 (1): 3604. [PMID:31399568]