Bioactive Compound Details

BioIDbio3221
NameONDANSETRON
ChEMBL IDCHEMBL46
Molecular FormulaC18H19N3O
Molecular Weight293.37
Molecular Weight (Monoisotopic)293.1528
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsA04AA01|Desmethylondansetron|EUR-1025|GR-38032|GR-38032F|NSC-757870|ONDANSETRON|Ondansetron|ZOFRAN ODT|ZUPLENZ|Zofran
SmilesCc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
InchiInChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
Inchi KeyFELGMEQIXOGIFQ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets198.0
Bioactivities1003.0
Np Likeness Score-0.54
Records Key['Ondansetron', 'Ondansetron', 'ondansetron', 'Ondansetron', '22', '4', 'GR-38032 (1)', '2', 'Ondansetron', 'GR-38032F', '19', '10 GR-38032', '4', 'ondansetron', '139', 'ondansetron', 'Ondansetron', 'SID170464701', 'Ondansetron', 'ondansetron', '1 (ondansetron)', 'Ondansetron', 'ondansetron', 'odansetron', 'ondansetron', '1', 'Ondansetron', '1 - Ondansetron', 'Ondansetron', 'GR-38032F', 'ondansetron', 'ONDANSETRON', 'Ondansetron', 'ondansetron', '63', 'Ondansetron', 'Ondansetron', 'Ondansetron', 'Ondansetrone', 'Ondansetron', '1', '2', '10 GR-38032', 'Ondansetron', 'ondansetron', '43', '8', '3a', 'ondansetron', '1 (Ondansetron)', '2 (ondansetron)', 'Ondansetron', 'Ondansetron', 'Ondansetron', '24, Table 2', 'ONDANSETRON', 'Ondansetron', 'SID124893606', 'Ondansetron', 'Ondansetron', 'Ondansetron', 'ONDANSETRON', '3', 'ondansetron', 'Ondansetron', 'Ondansetron', 'Ondansteron', '1', 'ONDANSETRON', 'GR-38032', 'ondansetron', 'ONDANSETRON', '177', 'Ondansetron', 'Ondansetron', 'ONDANSETRON', 'Ondansetron', 'SID144206599', 'Ondansetron', 'Ondansetron', 'ondansetron', 'Ondansetron', 'Ondansetron', 'Ondansetron', 'ONDANSETRON', 'ONDANSETRON', 'SAM002589958', 'ONDANSETRON', 'ONDANSETRON', 'COVC-1214955026', 'Ondansetron', '2', 'Ondansetron', 'BA1000946']
Records Name['3-Imidazol-1-ylmethyl-9-methyl-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one (GR 38032)', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one (GR 38032F)', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '(GR 38032F)9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one (Ondansetron)', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one (GR 38032)', '3-(2-Methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one (ondansetron)', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', 'SID170464701', '3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one (ondansetron)', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-methyl-3-(2-methyl-1H-1-imidazolylmethyl)-2,3,4,9-tetrahydro-1H-4-carbazolone', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,4a,9,9a-hexahydro-carbazol-4-one', '10-(2-Methyl-imidazol-1-ylmethyl)-5,6,9,10-tetrahydro-4H,8H-pyrido[3,2,1-jk]carbazol-11-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one (ondansetron)', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '(GR 38032F)9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', '(ondansetron)9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one', 'ONDANSETRON', 'Ondansetron', '3-Imidazol-1
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure