Bioactive Compound Details

BioIDbio3025
NameLASMIDITAN
ChEMBL IDCHEMBL3039520
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37
Molecular Weight (Monoisotopic)377.1351
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCOL-144|LASMIDITAN|LY573144|Lasmiditan
SmilesCN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InchiInChI=1S/C19H18F3N3O2/c1-25-7-5-11(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/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)
Inchi KeyXEDHVZKDSYZQBF-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets70.0
Bioactivities1036.0
Np Likeness Score-1.44
Records Key['LASMIDITAN', 'LASMIDITAN', 'LASMIDITAN', 'Lasmiditan (hydrochloride)', 'LASMIDITAN', 'EUB0000912a', 'LASMIDITAN', 'EUB0000912a', 'EUB0000912a', 'EUB0000912a', 'Lasmiditan', '192; LY573144', 'EUB0000912a', 'EUB0000912a']
Records Name['LASMIDITAN', 'LASMIDITAN', 'LASMIDITAN', 'Lasmiditan (hydrochloride)', 'LASMIDITAN', 'Lasmiditan', 'LASMIDITAN', 'Lasmiditan', 'Lasmiditan', 'Lasmiditan', 'Lasmiditan', '2,4,6-trifluoro-N-(6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl)benzamide', 'Lasmiditan', 'Lasmiditan']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure