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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
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
Search Google for chemical match using the InChIKey HEVHTYMYEMEBPX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HEVHTYMYEMEBPX
Search PubMed clinical trials taletrectinib
Search PubMed titles taletrectinib
Search PubMed titles/abstracts taletrectinib
UniChem Compound Search for chemical match using the InChIKey HEVHTYMYEMEBPX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HEVHTYMYEMEBPX-UHFFFAOYSA-N