Bioactive Compound Details

BioIDbio2604
NameMOBOCERTINIB SUCCINATE
ChEMBL IDCHEMBL4802239
Molecular FormulaC36H45N7O8
Molecular Weight703.8
Molecular Weight (Monoisotopic)585.3064
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsExkivity|MOBOCERTINIB SUCCINATE
SmilesC=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.O=C(O)CCC(=O)O
InchiInChI=1S/C32H39N7O4.C4H6O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26;5-3(6)1-2-4(7)8/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36);1-2H2,(H,5,6)(H,7,8)
Inchi KeyYXYAEUMTJQGKHS-UHFFFAOYSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-1.05
Records Key['MOBOCERTINIB SUCCINATE']
Records Name['MOBOCERTINIB SUCCINATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure