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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11404 taletrectinib
Synonyms Click here for help
AB-106 | AB106 | DS-6051b | DS6051b
Database Links Click here for help
CAS Registry No. 1505514-27-1 (source: WHO INN record)
GtoPdb PubChem SID 434122258
PubChem CID 72202474
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