Name: PROTAC BRM degrader-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848786
Cas No:2378051-80-8
常用名:PROTAC BRM degrader-1
IUPAC:(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-[3-(2-{4-[(1r,3r)-3-[(4-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyridin-2-yl)oxy]cyclobutoxy]piperidin-1-yl}ethoxy)-1,2-oxazol-5-yl]butanoyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2R)-3-methyl-2-[3-(2-{4-[(1r,3r)-3-[(4-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyridin-2-yl)oxy]cyclobutoxy]piperidin-1-yl}ethoxy)-1,2-oxazol-5-yl]butanoyl]pyrrolidine-2-carboxamide
InChI key:MOMWKZXTQZEWBK-PRVCUHQGSA-N

分子式:C57H69N11O8S
分子量:1068.31
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)c1cc(OCCN2CCC(CC2)O[C@H]2C[C@@H](C2)Oc2cc(ccn2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)no1
SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)c1cc(OCCN2CCC(CC2)O[C@H]2C[C@@H](C2)Oc2cc(ccn2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)no1

PROTACBRM degrader-1 (compound 17) 作为一种基于PROTAC的BRM与BRG1降解剂，其对BRM的DC50值为93 pM，而对BRG1的DC50值为4.9 nM。

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