Name: CD38 inhibitor 1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212708391
Cas No:1700637-55-3
常用名:CD38 inhibitor 1
IUPAC:1-methyl-4-{[(1r,4r)-4-(2-methoxyethoxy)cyclohexyl]amino}-6-(1,3-thiazol-5-yl)-1,2-dihydroquinolin-2-one
IUPAC:1-methyl-4-{[(1r,4r)-4-(2-methoxyethoxy)cyclohexyl]amino}-6-(1,3-thiazol-5-yl)-1,2-dihydroquinolin-2-one
InChI key:VJQALSOBHVEJQM-QAQDUYKDSA-N

分子式:C22H27N3O3S
分子量:413.54
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:1.8144882
SMILES:COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |wU:8.11,wD:5.4,(-8,9.24,;-6.67,8.47,;-6.67,6.93,;-5.33,6.16,;-5.33,4.62,;-4,3.85,;-4,2.31,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;,1.54,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;5.33,,;5.5,1.53,;7,1.85,;7.77,.52,;6.74,-.63,)|
SMILES:COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |wU:8.11,wD:5.4,(-8,9.24,;-6.67,8.47,;-6.67,6.93,;-5.33,6.16,;-5.33,4.62,;-4,3.85,;-4,2.31,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;,1.54,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;,-4.62,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;5.33,,;5.5,1.53,;7,1.85,;7.77,.52,;6.74,-.63,)|

CD38 inhibitor 1 是一种有效的 CD38抑制剂，能够作用于人类的 CD38 (IC50值为7.3 nM)和小鼠的 CD38 (IC50值为1.9 nM)。

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