Bioactive Compound Details

BioIDbio3052
NameELETRIPTAN HYDROBROMIDE
ChEMBL IDCHEMBL1201003
Molecular FormulaC22H27BrN2O2S
Molecular Weight463.44
Molecular Weight (Monoisotopic)382.1715
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsELETRIPTAN HBR|ELETRIPTAN HYDROBROMIDE|NSC-759258|RELPAX|UK-116,044-04|UK-116044-04
SmilesBr.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
InchiInChI=1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1
Inchi KeyUTINOWOSWSPFLJ-FSRHSHDFSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score-0.72
Records Key['ELETRIPTAN HYDROBROMIDE', 'ELETRIPTAN HYDROBROMIDE', 'ELETRIPTAN', 'eletriptan', 'eletriptan']
Records Name['ELETRIPTAN HYDROBROMIDE', 'ELETRIPTAN HYDROBROMIDE', 'ELETRIPTAN', 'eletriptan', 'eletriptan']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure