Name: Velusetrag
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214320368
Cas No:866933-46-2
常用名:Velusetrag
别名:TD-5108, TD5108, TD 5108
IUPAC:N-[(1R,3R,5S)-8-[(2R)-2-hydroxy-3-(N-methylmethanesulfonamido)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-(propan-2-yl)-1,2-dihydroquinoline-3-carboxamide
IUPAC:N-[(1R,3R,5S)-8-[(2R)-2-hydroxy-3-(N-methylmethanesulfonamido)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-(propan-2-yl)-1,2-dihydroquinoline-3-carboxamide
InChI key:HXLOHDZQBKCUCR-WOZUAGRISA-N

分子式:C25H36N4O5S
分子量:504.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2C[C@@H](O)CN(C)S(C)(=O)=O |TLB:9:7:26:2.3|
SMILES:[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2C[C@@H](O)CN(C)S(C)(=O)=O |TLB:9:7:26:2.3|

Velusetrag(TD-5108)is an effective, selective, and highly potent agonist of the 5-HT4 receptor, and being developed for the treatment of gastroparesis, chronic constipation, and irritable bowel syndrome.

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