Bioactive Compound Details

BioIDbio3235
NameZURLETRECTINIB
ChEMBL IDCHEMBL5095426
Molecular FormulaC19H19F2N7O2
Molecular Weight415.4
Molecular Weight (Monoisotopic)415.1568
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsICP-723|ZURLETRECTINIB
SmilesC[C@H]1CNC(=O)Nc2cnn3ccc(nc23)N2C[C@@H](F)C[C@@H]2c2cc(F)cnc2O1
InchiInChI=1S/C19H19F2N7O2/c1-10-6-23-19(29)25-14-8-24-28-3-2-16(26-17(14)28)27-9-12(21)5-15(27)13-4-11(20)7-22-18(13)30-10/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H2,23,25,29)/t10-,12-,15+/m0/s1
Inchi KeyOIBWCYRRWAMTRW-ITDIGPHOSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.8
Records Key['ZURLETRECTINIB', 'ZURLETRECTINIB', 'ZURLETRECTINIB']
Records Name['ZURLETRECTINIB', 'ZURLETRECTINIB', 'ZURLETRECTINIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure