Name: Mcl1-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672529
Cas No:1814891-79-6
常用名:Mcl1-IN-3
IUPAC:1-{[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl}-6-(furan-2-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
IUPAC:1-{[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl}-6-(furan-2-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
InChI key:LTAWGVCXLNOXJX-UHFFFAOYSA-N

分子式:C27H22ClN3O4
分子量:487.94
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:6.1683536
SMILES:Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
SMILES:Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1

Mcl1-IN-3 is an Mcl1 inhibitor. It has an IC50 and Ki of 0.67 and 0.13 μM, respectively.

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