Bioactive Compound Details

BioIDbio3120
NameNARATRIPTAN
ChEMBL IDCHEMBL1278
Molecular FormulaC17H25N3O2S
Molecular Weight335.47
Molecular Weight (Monoisotopic)335.1667
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAmerge|NARATRIPTAN
SmilesCNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InchiInChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
Inchi KeyAMKVXSZCKVJAGH-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets12.0
Bioactivities54.0
Np Likeness Score-0.93
Records Key['2 (naratriptan)', 'Naratriptan', '61', '235', '150, naratriptan', 'Naratriptan', 'SID174006312', 'NARATRIPTAN', 'NARATRIPTAN', 'naratriptan', 'Naratriptan', 'NARATRIPTAN', 'COVC-1751715199', 'NARATRIPTAN', 'Naratriptan', '3710', 'NARATRIPTAN', 'Naratriptan HCl', '9']
Records Name['2-[3-(1-Methyl-piperidin-4-yl)-1H-indol-5-yl]-ethanesulfonic acid methylamide', 'Naratriptan', 'Naratriptan', 'Naratriptan', 'N-methyl-2-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)ethanesulfonamide', 'Naratriptan', 'SID174006312', 'NARATRIPTAN', 'NARATRIPTAN', 'naratriptan', 'Naratriptan', 'NARATRIPTAN', 'NARATRIPTAN', 'NARATRIPTAN', 'Naratriptan', None, 'NARATRIPTAN', 'Naratriptan HCl', 'Naratriptan']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure