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1. 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic Acid ((1s,3r,5r)-8-((r)-2-hydroxy-3-(methanesulfonyl-methyl-amino)propyl)-8-aza-bicyclo(3.2.1)oct-3-yl)amide
2. Td-5108
3. Td5108
1. Td-5108
2. 866933-46-2
3. J4vnv64arb
4. 1,2-dihydro-n-[(3-endo)-8-[(2r)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-2-oxo-3-quinolinecarboxamide
5. 3-quinolinecarboxamide, 1,2-dihydro-n-((3-endo)-8-((2r)-2-hydroxy-3-(methyl(methylsulfonyl)amino)propyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-(1-methylethyl)-2-oxo-
6. Td 5108
7. Velusetrag [usan]
8. Velusetrag [inn]
9. Unii-j4vnv64arb
10. Velusetrag [usan:inn]
11. Velusetrag [who-dd]
12. Gtpl8425
13. Schembl2917361
14. Chembl2087337
15. Dtxsid001029768
16. Serotonin 5-ht4 Receptor Agonists
17. Bdbm50391069
18. Zinc15821733
19. Compound 15 [pmid 22959244]
20. Db12702
21. Hy-10457
22. Cs-0002610
23. E98885
24. N-((1r,3r,5s)-8-((2r)-2-hydroxy-3-(methyl(methylsulfonyl)amino)propyl)-8- Azabicyclo(3.2.1)oct-3-yl)-1-(1-methylethyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
25. N-((1r,3r,5s)-8-((2r)-2-hydroxy-3-(methyl(methylsulfonyl)amino)propyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-(1-methylethyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
26. 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
27. N-[(1s,5r)-8-[(2r)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
Molecular Weight | 504.6 g/mol |
---|---|
Molecular Formula | C25H36N4O5S |
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 8 |
Exact Mass | 504.24064144 g/mol |
Monoisotopic Mass | 504.24064144 g/mol |
Topological Polar Surface Area | 119 Ų |
Heavy Atom Count | 35 |
Formal Charge | 0 |
Complexity | 932 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently Bonded Unit Count | 1 |
Studies demonstrating the in vivo preclinical profile of Velusetrag showed that the compound has potent 5-HT4 receptor agonist activity by several routes of administration, including oral, providing robust prokinetic activity in the digestive tract of three different animal species, consistent with its highly potent and selective 5-HT4 receptor agonist in vitro profile.
Velusetrag is a potent, highly selective agonist with high intrinsic activity at the 5-HT4 receptor. Relative to other 5-HT receptor types, Velusetrag is > 500-fold selective for binding to the human 5-HT4 receptor. Theravance anticipates that the high degree of selectivity of Velusetrag provides the potential for it to be a better and safer medicine for the treatment of patients with severe constipation and possibly constipation predominant irritable bowel syndrome.
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