Name: Mcl1-IN-11
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212673227
Cas No:2042211-13-0
常用名:Mcl1-IN-11
IUPAC:N-(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonyl)-4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzamide
IUPAC:N-(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonyl)-4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzamide
InChI key:UQOYPUQPZRJYPK-UHFFFAOYSA-N

分子式:C38H41N3O5S2
分子量:683.88
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:9.964783
SMILES:Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
SMILES:Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C

Mcl1-IN-11 (Compound G) is a selective Mcl-1 inhibitor, less potent at Bcl-2, with Kis of 0.06 and 4.2 μM, respectively.

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