DS-6051b   Click here for help

GtoPdb Ligand ID: 11198

Synonyms: AB-106 | AB106 | DS6051b | taletrectinib (proposed INN)
Compound class: Synthetic organic
Comment: 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
SMILES / InChI / InChIKey
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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)
InChI Key HEVHTYMYEMEBPX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
Synonyms Click here for help
AB-106 | AB106 | DS6051b | taletrectinib (proposed INN)
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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