Bioactive Compound Details

BioIDbio2962
NameOSIMERTINIB MESYLATE
ChEMBL IDCHEMBL3545063
Molecular FormulaC29H37N7O5S
Molecular Weight595.73
Molecular Weight (Monoisotopic)499.2696
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAZD-9291 MESYLATE|AZD9291 mesylate|MERELETINIB MESILATE|MERELETINIB MESYLATE|OSIMERTINIB MESILATE|OSIMERTINIB MESYLATE|Tagrisso
SmilesC=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O
InchiInChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)
Inchi KeyFUKSNUHSJBTCFJ-UHFFFAOYSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-1.11
Records Key['OSIMERTINIB MESYLATE', 'OSIMERTINIB MESYLATE', 'OSIMERTINIB MESYLATE', 'OSIMERTINIB MESYLATE']
Records Name['OSIMERTINIB MESYLATE', 'OSIMERTINIB MESYLATE', 'OSIMERTINIB MESYLATE', 'OSIMERTINIB MESYLATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure