dBAZ2 | AnyMole

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HIT219251026

sdf 文件

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HIT219251026

HIT ID:HIT219251026
Cas No:
常用名:dBAZ2
IUPAC:(2S,4R)-1-[3-({[4-({[5-(4-cyanophenyl)-4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl]methoxy}methyl)cyclohexyl]methyl}sulfanyl)-2-[(1-fluorocyclopropyl)formamido]-3-methylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[3-({[4-({[5-(4-cyanophenyl)-4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl]methoxy}methyl)cyclohexyl]methyl}sulfanyl)-2-[(1-fluorocyclopropyl)formamido]-3-methylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:VCSXUBAIPLXSMQ-SJKYELRKSA-N

分子式:C54H64FN11O5S2
分子量:1030.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)SCC2CCC(COCc3nc(-c4cnn(C)c4)c(-c4ccc(cc4)C#N)n3CCc3cnn(C)c3)CC2)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)SCC2CCC(COCc3nc(-c4cnn(C)c4)c(-c4ccc(cc4)C#N)n3CCc3cnn(C)c3)CC2)cc1

dBAZ2 是一种用于降解BAZ2A和BAZ2B的首创PROTAC降解剂，其对BAZ2A和BAZ2B的DC50值分别为180 nM和250 nM。

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