Bioactive Compound Details

BioIDbio2788
NameSUMATRIPTAN
ChEMBL IDCHEMBL128
Molecular FormulaC14H21N3O2S
Molecular Weight295.41
Molecular Weight (Monoisotopic)295.1354
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsDFN-11|DFN-11 (SUMATRIPTAN INJECTION)|IMITREX|N02CC01|SUMATRIPTAN|TOSYMRA
SmilesCNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InchiInChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
Inchi KeyKQKPFRSPSRPDEB-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets187.0
Bioactivities1207.0
Np Likeness Score-1.1
Records Key['1', 'Sumatriptan', 'Sumatriptan', 'sumatriptan', 'Sumatriptan', '1 (Sumatriptan)', 'Sumatriptan', '8 (Sumatriptan)', 'Sumatriptan', 'Sumatriptan', 'sumatriptan', 'Sumatriptan', '1', 'BDBM50005835', 'Sumatriptan', 'sumatriptan (1)', 'sumatriptan', '2', '2', 'SUMATRIPTAN', '1 (Sumatriptan)', 'Sumatriptan', 'Sumatriptan', 'Sumatriptan', '81', 'Sumatriptan', '1 (sumatriptan)', 'Sumatriptan (1)', 'sumatriptan', '4 (Sumatriptan)', 'SMT', 'Sumatriptan', '3', '31', '17', 'Sumatriptan', 'SID144205081', 'sumatriptan', '3', 'Sumatriptan', 'Sumatriptan', 'Sumatriptan', 'Sumatriptan', 'SID174006309', 'Sumatriptan', 'Sumatriptan', 'Sumatriptan', 'Sumatriptan', 'SID170465377', 'sumatriptan', 'Sumatriptan', 'SUMATRIPTAN', '40', 'Sumatriptan', 'Sumatriptan', 'Imitrex', 'Sumatriptan', '3', 'SUMATRIPTAN', 'Sumatriptan', 'Sumatriptan', '31', 'Sumatriptan', '4', 'Sumatriptan (table SVI)', 'Sumatriptan', 'sumatriptan', '1', 'SUMATRIPTAN', 'SUMATRIPTAN', 'SUMATRIPTAN', 'Sumatriptan (1)', 'Sumatriptan', 'Sumatriptan', '326', '1674', 'SUMATRIPTAN', 'Sumatriptan', 'sumatriptan', 'Sumatriptan', 'SID49679316', 'SUMATRIPTAN', 'SUMATRIPTAN', 'Sumatriptan', 'Sumatriptan', 'SUMATRIPTAN', 'Sumatriptan', 'SUMATRIPTAN', 'COVC-1214880210', 'Sumatriptan', 'sumatriptan', '7', 'SUMATRIPTAN SUCCINATE', 'Sumatriptan', 'Sumatriptan', 'BA1001102', 'Sumatriptan']
Records Name['C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'Sumatriptan', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'Sumatriptan', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'Sumatriptan', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', '(3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide::1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide::1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide::3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide::3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide::CHEMBL128::SUMATRIPTAN::Sumatran::Sumax', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'N-methyl-3-(2-dimethylaminoethyl)-1H-5-indolylmethanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide (Sumatriptan)', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'SUMATRIPTAN', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide (Sumatriptan)', 'C-[3-(2-Dimethylamino-ethyl)-3H-indol-5-yl]-N-methyl-methanesulfonamide', 'Sumatriptan', 'Sumatriptan', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'sumatriptan', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'sumatriptan', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'sumatriptan', 'Sumatriptan', 'Sumatriptan', 'SID144205081', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide', 'Sumatriptan',
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure