Bioactive Compound Details

BioIDbio1985
NameALOSETRON
ChEMBL IDCHEMBL1110
Molecular FormulaC17H18N4O
Molecular Weight294.36
Molecular Weight (Monoisotopic)294.1481
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsA03AE01|ALOSETRON|Alosetron|Lotronex
SmilesCc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O
InchiInChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
Inchi KeyJSWZEAMFRNKZNL-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets160.0
Bioactivities443.0
Np Likeness Score-0.77
Records Key['3', 'Alosetron', 'alosetron', 'alosetron', '006, alosetron', '1, Alosetron', 'Alosetron', 'Alosetron', 'ALOSETRON', 'Alosetron', 'Alosetron', 'Alosetron', 'ALOSETRON', 'Alosetron', 'Alosetron', 'ALOSETRON', 'ALOSETRON', 'ALOSETRON', 'BDBM50014558', 'Alosetron_HCL', 'EUB0000857a', 'EUB0000857a', 'COVC-1751753378', 'EUB0000857a', 'alosetron', '262272001', '15']
Records Name['5-methyl-2-((4-methyl-1H-imidazol-5-yl)methyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one', 'Alosetron', 'alosetron', 'alosetron', '5-methyl-2-((4-methyl-1H-imidazol-5-yl)methyl)-3,4-dihydro-2H-pyrido[4,3-b]indol-1(5H)-one', '5-methyl-2-((4-methyl-1H-imidazol-5-yl)methyl)-3,4-dihydro-2H-pyrido[4,3-b]indol-1(5H)-one', '5-Methyl-2-(5-methyl-1H-imidazol-4-ylmethyl)-2,3,4,5-tetrahydro-pyrido[4,3-b]indol-1-one', 'Alosetron', 'Alosetron', '5-Methyl-2-(5-methyl-1H-imidazol-4-ylmethyl)-2,3,4,5-tetrahydro-pyrido[4,3-b]indol-1-one', 'Alosetron', 'Alosetron', 'ALOSETRON', 'Alosetron', 'Alosetron', 'ALOSETRON', 'ALOSETRON', 'ALOSETRON', 'ALOSETRON::CHEBI:253342::Lotronex::US9045501, Alosetron', 'Alosetron_HCL', 'ALOSETRON', 'ALOSETRON', 'ALOSETRON', 'ALOSETRON', 'alosetron', 'ALOSETRON', 'Alosetron']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure