Bioactive Compound Details

BioIDbio2697
NamePALTIMATRECTINIB
ChEMBL IDCHEMBL5095076
Molecular FormulaC20H15F5N6
Molecular Weight434.37
Molecular Weight (Monoisotopic)434.1278
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsPALTIMATRECTINIB|PBI-200|PPI-5278
SmilesFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-n4cc(C(F)(F)F)cn4)c3n2)c1
InchiInChI=1S/C20H15F5N6/c21-13-3-4-15(22)14(8-13)16-2-1-6-29(16)18-5-7-30-19(28-18)17(10-27-30)31-11-12(9-26-31)20(23,24)25/h3-5,7-11,16H,1-2,6H2/t16-/m1/s1
Inchi KeyFYPXPQSPRRZJCK-MRXNPFEDSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.69
Records Key['PALTIMATRECTINIB', 'PALTIMATRECTINIB', 'PALTIMATRECTINIB']
Records Name['PALTIMATRECTINIB', 'PALTIMATRECTINIB', 'PALTIMATRECTINIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure