Bioactive Compound Details

BioIDbio2903
NameTALETRECTINIB ADIPATE
ChEMBL IDCHEMBL4650361
Molecular FormulaC29H34FN5O5
Molecular Weight551.62
Molecular Weight (Monoisotopic)405.1965
TypeSmall molecule
Max PhasePhase 1
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsDS-6051B|DS-6051b|TALETRECTINIB ADIPATE
SmilesC[C@@H](N)COc1ccc(-c2cnc3ccc(N[C@H](C)c4cccc(F)c4)nn23)cc1.O=C(O)CCCCC(=O)O
InchiInChI=1S/C23H24FN5O.C6H10O4/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;7-5(8)3-1-2-4-6(9)10/h3-13,15-16H,14,25H2,1-2H3,(H,27,28);1-4H2,(H,7,8)(H,9,10)/t15-,16-;/m1./s1
Inchi KeyDORJQZDOULKINH-QNBGGDODSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-1.67
Records Key['TALETRECTINIB ADIPATE', 'TALETRECTINIB ADIPATE']
Records Name['TALETRECTINIB ADIPATE', 'TALETRECTINIB ADIPATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure