Name: PROTAC EGFR degrader 5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912368
Cas No:
常用名:PROTAC EGFR degrader 5
IUPAC:(2S,4R)-1-[(2S)-2-(7-{4-[6-({2-[(4-fluorophenyl)amino]-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl}amino)pyridin-3-yl]piperazin-1-yl}heptanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(7-{4-[6-({2-[(4-fluorophenyl)amino]-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl}amino)pyridin-3-yl]piperazin-1-yl}heptanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:InChIKey=LCTCXOPSLJEXKE-FEDPBZRBSA-N

分子式:C57H72FN13O5S
分子量:1070.35
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@@H](NC(=O)CCCCCCN2CCN(CC2)c2ccc(Nc3cc4c(nc(Nc5ccc(F)cc5)nc4cn3)N3CCC(CO)CC3)nc2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCN2CCN(CC2)c2ccc(Nc3cc4c(nc(Nc5ccc(F)cc5)nc4cn3)N3CCC(CO)CC3)nc2)C(C)(C)C)cc1

PROTACEGFRdegrader 5 (Compound 10) 是一种 PROTACEGFR 降解剂，可有效降解 HCC827 细胞中的 EGFRDel19，DC50为 34.8 nM。PROTACEGFRdegrader 5 显著诱导 HCC827 细胞凋亡 (apoptosis) 并将细胞阻滞在 G1 期。

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