Name: PROTAC KRAS G12D degrader 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219569533
Cas No:3033583-54-6
常用名:PROTAC KRAS G12D degrader 1
IUPAC:(2S,4R)-1-[(2S)-2-(2-{4-[(2S)-2-{[(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl)oxy]methyl}pyrrolidin-1-yl]butoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(2-{4-[(2S)-2-{[(4-{3,8-diazabicyclo[3.2.1]octan-3-yl}-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl)oxy]methyl}pyrrolidin-1-yl]butoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:KHIURKSPHCFKCV-FQLPBZNCSA-N

分子式:C59H72F2N10O7S
分子量:1103.34
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(cc5)-c5scnc5C)C(C)(C)C)nc4c3F)N3CC4CCC(C3)N4)c12
SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(cc5)-c5scnc5C)C(C)(C)C)nc4c3F)N3CC4CCC(C3)N4)c12

PROTACKRAS G12D degrader 1 是一种高效、迅速且选择性的PROTAC KRAS G12D降解剂，具有DC50为38.06 nM，表现出显著的抗肿瘤活性。

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