BDBM50014558 ALOSETRON::CHEBI:253342::Lotronex::US9045501, Alosetron

SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C

InChI Key InChIKey=JSWZEAMFRNKZNL-UHFFFAOYSA-N

Data  2 KI  1 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50014558   

Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Albany Molecular Research, Inc.

US Patent
LigandPNGBDBM50014558(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)
Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=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)
Affinity DataKi:  0.5nM ΔG°:  -12.7kcal/molepH: 7.5 T: 2°CAssay Description:The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Albany Molecular Research, Inc.

US Patent
LigandPNGBDBM50014558(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)
Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=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)
Affinity DataKi:  0.5nMAssay Description:Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM50014558(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)
Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=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)
Affinity DataIC50: 600nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair