Bioactive Compound Details

BioIDbio3330
NameALMOTRIPTAN
ChEMBL IDCHEMBL1505
Molecular FormulaC17H25N3O2S
Molecular Weight335.47
Molecular Weight (Monoisotopic)335.1667
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsALMOTRIPTAN|Almotriptan|LAS 31416|LAS-31416|NSC-760092
SmilesCN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
InchiInChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3
Inchi KeyWKEMJKQOLOHJLZ-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets70.0
Bioactivities182.0
Np Likeness Score-1.25
Records Key['12', '005, almotriptan', 'ALMOTRIPTAN', '73', 'Almotriptan', 'SID26748976', 'almotriptan', 'SID174006290', 'Almotriptan', 'ALMOTRIPTAN', 'SID170465288', 'ALMOTRIPTAN', 'Almotriptan', 'ALMOTRIPTAN', 'ALMOTRIPTAN', 'Almotriptan malate (Axert)', 'COVC-2824708803', 'almotriptan', 'ALMOTRIPTAN']
Records Name['Almotriptan', 'N,N-dimethyl-2-(5-((pyrrolidin-1-ylsulfonyl)methyl)-1H-indol-3-yl)ethanamine', 'ALMOTRIPTAN', 'Almotriptan', 'Almotriptan', 'SID26748976', 'almotriptan', 'SID174006290', 'Almotriptan', 'ALMOTRIPTAN', 'SID170465288', 'ALMOTRIPTAN', 'Almotriptan', 'ALMOTRIPTAN', 'ALMOTRIPTAN', 'Almotriptan malate (Axert)', 'ALMOTRIPTAN', 'almotriptan', 'ALMOTRIPTAN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure