Bioactive Compound Details

BioIDbio3069
NameLAROTRECTINIB
ChEMBL IDCHEMBL3889654
Molecular FormulaC21H22F2N6O2
Molecular Weight428.44
Molecular Weight (Monoisotopic)428.1772
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsARRY-470|BAY-2757556|BAY2757556|LAROTRECTINIB|LOXO-101
SmilesO=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1
InchiInChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
Inchi KeyNYNZQNWKBKUAII-KBXCAEBGSA-N
Molecular SpeciesNEUTRAL
Targets19.0
Bioactivities188.0
Np Likeness Score-1.76
Records Key['17; ARRY-470', 'BDBM136597', 'LAROTRECTINIB', '8; LOXO-101', '2; LOXO-101', 'LOXO-101', 'LAROTRECTINIB', 'larotrectinib', 'larotrectinib', '1', 'LAROTRECTINIB', 'Larotrectinib sulfate', '1', 'Larotrectinib', '1', 'Larotrectinib', '1; LOXO-101', 'LOXO-101', 'LOX0-101', '1; LOXO-101', 'LOX0-101', 'Larotrectinib', '48', 'Larotrectinib', '1; LOXO-1-1', '18', '1', 'Larotrectinib', 'LOXO-101', '13', '1', '18', 'Larotrectinib']
Records Name['(S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide', 'US8865698, 14', 'LAROTRECTINIB', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'LAROTRECTINIB', 'larotrectinib', 'larotrectinib', 'Larotrectinib', 'LAROTRECTINIB', 'Larotrectinib sulfate', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', '(S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib', 'Larotrectinib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure