Name: EZH2-IN-5
Rating: 5 (10 reviews)

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HIT ID:HIT214322479
Cas No:1403258-69-4
常用名:EZH2-IN-5
别名:EZH2-IN-5
IUPAC:5-bromo-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-{ethyl[(1r,4r)-4-(dimethylamino)cyclohexyl]amino}-2-methylbenzamide
IUPAC:5-bromo-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-{ethyl[(1r,4r)-4-(dimethylamino)cyclohexyl]amino}-2-methylbenzamide
InChI key:FKKHGOZTTQASQA-MEMLXQNLSA-N

分子式:C26H37BrN4O2
分子量:517.512
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |wU:3.2,wD:6.9,(,1.54,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-6.67,2.31,;-8,1.54,;-6.67,3.85,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;2.67,-4.62,;1.33,-6.93,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;5.33,-9.24,;4,-11.55,;2.67,-12.32,;2.67,-13.86,;1.33,-11.55,;1.33,-10.01,;,-9.24,;,-3.08,;1.33,-2.31,)|
SMILES:CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |wU:3.2,wD:6.9,(,1.54,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-6.67,2.31,;-8,1.54,;-6.67,3.85,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;2.67,-4.62,;1.33,-6.93,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;5.33,-9.24,;4,-11.55,;2.67,-12.32,;2.67,-13.86,;1.33,-11.55,;1.33,-10.01,;,-9.24,;,-3.08,;1.33,-2.31,)|

EZH2-IN-5 is a highly effective inhibitor of EZH2, displaying remarkable potency against both wild-type and mutant Tyr641 EZH2, with IC50 values of 1.52 nM and 4.07 nM, respectively.

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