Bioactive Compound Details

BioIDbio2887
NameGRANISETRON
ChEMBL IDCHEMBL289469
Molecular FormulaC18H24N4O
Molecular Weight312.42
Molecular Weight (Monoisotopic)312.195
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAPF-530|APF530|BRL 43694|BRL-43694|GRANISETRON|Kytril|LY-278584|SUSTOL|Sancuso
SmilesCN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2
InchiInChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
Inchi KeyMFWNKCLOYSRHCJ-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets171.0
Bioactivities1062.0
Np Likeness Score-1.06
Records Key['6', '6g', '1', 'granisetron', 'Granisetron', '1, BRL-43694', '23', '12b', 'granisetron (table 1)', 'Granisetron', 'Granisetron', '2 (Granisetron)', 'LY-278584', 'granisetron', 'Granisetron', '11', '42', 'granisetron', 'GRANISETRON', 'GRANISETRON', 'granisetron', 'Granisetron', '3', 'Grainisteron', 'granisetron', '1', 'Granisetron', 'Granisetron', '12, BRL-43694', 'Granisetron', 'granisetron', '4', '096, granisetron', 'Granisetron', 'granisetron', 'BRL-43694', 'SID90340785', 'Granisetron', '158', 'Granisetron', 'Granisetron', 'GRANISETRON', 'GRANISETRON', 'Granisetron', '1', 'Granisetron', 'GRANISETRON', '21', 'Granisetron', '3', '9', '21 (Granisetron)', '1', 'Granisetron, Kutril', 'granesetron', '1 (Granisetron)', 'Granisetron', '2', 'BRL-43694', '35, Table 2', 'GRANISETRON', 'GRANISETRON', 'GRANISETRON', 'granisetron', 'GRANISETRON HYDROCHLORIDE', 'granisetron', 'GRANISETRON', '3']
Records Name['1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', 'Granisetron', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', 'Granisetron', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', 'Granisetron', 'GRANISETRON', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', 'Granisetron', 'granisetron', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '(granisetron)1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', 'Granisetron', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', '1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide', '1-methyl-N-((1S,5R)-9-methyl-9-aza-bicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide', '1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide', 'granisetron', '(BRL-43694)1-Methyl-1H-indazole-3-carboxylic a
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure