Bioactive Compound Details

BioIDbio3273
NameTROPISETRON
ChEMBL IDCHEMBL56564
Molecular FormulaC17H20N2O2
Molecular Weight284.36
Molecular Weight (Monoisotopic)284.1525
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsICS-205-930|NAVOBAN|NOVABAN|NSC-759842|SDZ-ICS-930|TROPISETRON|TROPISETRON (AS HYDROCHLORIDE)|TROPISETRON HCL|TROPISETRON HYDROCHLORIDE|TROPISETRON MONOHYDROCHLORIDE
SmilesCN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2
InchiInChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
Inchi KeyZNRGQMMCGHDTEI-ITGUQSILSA-N
Molecular SpeciesBASE
Targets152.0
Bioactivities763.0
Np Likeness Score0.37
Records Key['1 ICS-205-930 tropisetron', '1 ICS-205-930 tropisetron', 'TROPISETRON', 'tropisetron', 'Tropisetron ICS-205-930', '1 (Tropisetron)', '7 (ICS-205-930)', '27(Tropisetron)', '2 ICS-205-930 tropisetron', '2 ICS-205-930 tropisetron', '12 ICS-205-930 tropisetron', '2 ICS-205-930 tropisetron', 'Tropisetron', '2', 'ICS-205-930', '2', 'ICS-205-930', '1 ICS-205-930 tropisetron', 'ICS-205-930', '1', '3', '1', 'Tropisetron', 'Tropisetron ICS-205-930', 'Tropisetron', '6', '1', 'Tropisetron ICS-205-930', 'SID144203823', '4', 'tropisetron', 'Tropisetron ICS-205-930', 'Tropisetron', 'TROPISETRON', '91', 'SID11111839', 'TROPISETRON', '50, Tropisetron', 'tropisetron', '3', 'TROPISETRON', 'tropisetron', 'Tropisetron ICS-205-930', 'Tropisetron', 'SID170466432', 'SID26755041', 'TROPISETRON', 'TROPISETRON', 'tropisetron', 'Tropisetron', 'tropisetron', 'TROPISETRON', 'COVC-0136622041', 'tropisetron', 'COVC-0677985533', '5']
Records Name['1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 'TROPISETRON', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (ICS 205-930)', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (ICS-205-930)', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (ICS-205-930)', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (ICS 205-930)', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (ICS 205930)', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (ICS 205-930)', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 'Tropisetron', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 'Tropisetron', 'tropisetron', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid (1S,3R,5R)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 'SID144203823', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 'Tropisetron', 'TROPISETRON', 'Tropisetron', 'SID11111839', 'TROPISETRON', '3-endo-8-Methyl 8-Azabicyclo[3.2.1]octan-3-yl)-(1H)-indole-3-carboxylate', '1-Methyl-1H-indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 'Tropisetron', 'tropisetron', '1H-Indole-3-carboxylic
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure