Name: Indimilast
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT214319560
Cas No:1038825-85-2
常用名:Indimilast
IUPAC:2-methyl-N-[(1s,4s)-4-[1-(4'-{[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl}-[1,1'-biphenyl]-3-yl)-6-fluoro-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-1,3-thiazole-4-carboxamide
IUPAC:2-methyl-N-[(1s,4s)-4-[1-(4'-{[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl}-[1,1'-biphenyl]-3-yl)-6-fluoro-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-1,3-thiazole-4-carboxamide
InChI key:MKQDRXQEQLCSON-JFAUGGILSA-N

分子式:C37H40FN7O3S
分子量:681.83
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1CN(Cc2ccc(cc2)-c2cccc(c2)-n2c3ncc(F)cc3c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3csc(C)n3)c2=O)C[C@@H](C)N1 |wU:28.30,31.37,46.52,1.0,(4,-14.63,;5.33,-13.86,;5.33,-12.32,;6.67,-11.55,;6.67,-10.01,;5.33,-9.24,;5.33,-7.7,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-5.33,,;-4,-.77,;-6.67,2.31,;-6.67,3.85,;-5.33,4.62,;-8,4.62,;-9.41,3.99,;-10.44,5.14,;-9.67,6.47,;-10.3,7.88,;-8.16,6.15,;-1.33,-2.31,;-2.67,-3.08,;8,-12.32,;8,-13.86,;9.34,-14.63,;6.67,-14.63,)|
SMILES:C[C@H]1CN(Cc2ccc(cc2)-c2cccc(c2)-n2c3ncc(F)cc3c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3csc(C)n3)c2=O)C[C@@H](C)N1 |wU:28.30,31.37,46.52,1.0,(4,-14.63,;5.33,-13.86,;5.33,-12.32,;6.67,-11.55,;6.67,-10.01,;5.33,-9.24,;5.33,-7.7,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;1.33,-6.93,;,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-5.33,,;-4,-.77,;-6.67,2.31,;-6.67,3.85,;-5.33,4.62,;-8,4.62,;-9.41,3.99,;-10.44,5.14,;-9.67,6.47,;-10.3,7.88,;-8.16,6.15,;-1.33,-2.31,;-2.67,-3.08,;8,-12.32,;8,-13.86,;9.34,-14.63,;6.67,-14.63,)|

Indimilast is used to inhibit phosphodiesterase IV that regulates lung inflammation and causes bronchiectasis by increasing intracellular cyclic adenosine 3', 5'-monophosphate in airway smooth muscle and inflammatory cells. Potential to treat chronic obstructive pulmonary disease (COPD).

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