Name: (R)-MIK665
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672544
Cas No:1799631-75-6;1799831-02-9
常用名:(R)-MIK665
IUPAC:(2R)-2-[(5-{3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)oxy]-3-(2-{[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}phenyl)propanoic acid
IUPAC:(2R)-2-[(5-{3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)oxy]-3-(2-{[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}phenyl)propanoic acid
InChI key:PKYIMGFMRFVOMB-LDLOPFEMSA-N

分子式:C47H44ClFN6O6S
分子量:875.41
氢键供体数 (HBD):1
氢键受体数 (HBA):12
LogP:6.360258
SMILES:COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1
SMILES:COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1

(R)-MIK665 is the less active enantiomer of MIK665. MIK665 is a special inhibitor of Mcl-1(IC50 of 1.81 nM).

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