Name: PROTAC ERRα Degrader-3
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323312
Cas No:2306388-65-6
常用名:PROTAC ERRα Degrader-3
IUPAC:(2S,4R)-1-[(2S)-2-{5-[(2E)-3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyanoprop-2-enamido]pentanamido}-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-{5-[(2E)-3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyanoprop-2-enamido]pentanamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:POTUUCUOBIVSIX-BDUCEWPUSA-N

分子式:C47H50F6N6O7S
分子量:957
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:6.816
SMILES:COc1cc(\C=C(/C#N)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |@:44|
SMILES:COc1cc(\C=C(/C#N)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F |@:44|

PROTAC ERRα Degrader-3 is a highly effective and selective von Hippel-Lindau-based ligand that efficiently degrades the ERRα protein. At a concentration of 30 nM, this compound exhibits a remarkable degradation capability, reducing the ERRα protein levels by >80%. Importantly, PROTAC ERRα Degrader-3 shows no activity against the ERRβ and ERRγ proteins.

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