Name: PROTAC IRAK4 degrader-3
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323369
Cas No:2374122-43-5
常用名:PROTAC IRAK4 degrader-3
别名:PROTAC IRAK4 degrader-3
IUPAC:1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-4-{3-[9-(5-{[(2R)-1-[(2R,4S)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]prop-1-yn-1-yl}-7-methoxyisoquinoline-6-carboxamide
IUPAC:1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-4-{3-[9-(5-{[(2R)-1-[(2R,4S)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]prop-1-yn-1-yl}-7-methoxyisoquinoline-6-carboxamide
InChI key:VCCDOPPWOSIMCD-HCDYCOHBSA-N

分子式:C57H68FN11O8S
分子量:1086.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H]1[C@@H](COc2ncc(C#CCN3CCC4(CC3)CCN(CC4)c3ncc(cn3)C(=O)N[C@@H](C(=O)N3C[C@@H](O)C[C@@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
SMILES:CC[C@H]1[C@@H](COc2ncc(C#CCN3CCC4(CC3)CCN(CC4)c3ncc(cn3)C(=O)N[C@@H](C(=O)N3C[C@@H](O)C[C@@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F

PROTAC IRAK4 degrader-3 is a PROTAC-induced IRAK4 degrader based on von Hippel-Lindau.

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