velusetrag

Ligand id: 8425

Name: velusetrag

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 118.64
Molecular weight 504.24
XLogP 2.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(1R,5S)-8-[(2R)-2-hydroxy-3-(methyl-methylsulfonylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
International Nonproprietary Names
INN number INN
9131 velusetrag
Synonyms
compound 15 [PMID 22959244] | TD-5108
Database Links
ChEMBL Ligand CHEMBL2087337
PubChem CID 11842633
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Search UniChem for chemical match using the InChIKey HXLOHDZQBKCUCR-VTHDOGFWSA-N
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Wikipedia Velusetrag
Comments
Velusetrag is a potent and selective, orally available agonist of the 5-HT4 receptor. The compound is being investigated as a treatment for chronic constipation [6,8] and irritable bowel syndrome [7].