Name: BM-1074
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321360
Cas No:1391108-10-3
常用名:BM-1074
IUPAC:5-(4-chlorophenyl)-4-(3-{4-[4-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamido)phenyl]piperazin-1-yl}phenyl)-N-methanesulfonyl-2-methyl-1-(propan-2-yl)-1H-pyrrole-3-carboxamide
IUPAC:5-(4-chlorophenyl)-4-(3-{4-[4-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamido)phenyl]piperazin-1-yl}phenyl)-N-methanesulfonyl-2-methyl-1-(propan-2-yl)-1H-pyrrole-3-carboxamide
InChI key:GISBATIMZJHKJK-RRHRGVEJSA-N

分子式:C50H57ClN8O7S3
分子量:1013.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)N(=O)=O)cc1
SMILES:CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)N(=O)=O)cc1

BM-1074 is a potent and highly efficacious inhibitor of Bcl-2/Bcl-xL with Ki value of < 1nM [1].

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