Bioactive Compound Details

BioIDbio3324
NameLASMIDITAN SUCCINATE
ChEMBL IDCHEMBL3039526
Molecular FormulaC42H42F6N6O8
Molecular Weight872.82
Molecular Weight (Monoisotopic)377.1351
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLASMIDITAN HEMISUCCINATE|LASMIDITAN SUCCINATE|LY-573144|LY-683974|LY683974|REYVOW|Rayvow
SmilesCN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.O=C(O)CCC(=O)O
InchiInChI=1S/2C19H18F3N3O2.C4H6O4/c2*1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22;5-3(6)1-2-4(7)8/h2*2-4,9-11H,5-8H2,1H3,(H,23,24,27);1-2H2,(H,5,6)(H,7,8)
Inchi KeyMSOIHUHNGPOCTH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.44
Records Key['LASMIDITAN SUCCINATE', 'LASMIDITAN SUCCINATE', 'LASMIDITAN SUCCINATE']
Records Name['LASMIDITAN SUCCINATE', 'LASMIDITAN SUCCINATE', 'LASMIDITAN SUCCINATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure