Name: KT621 Analog 2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220973155
Cas No:
常用名:KT621 Analog 2
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-[6-(N-methyl-1-{4-[4-(methylamino)phenyl]-6-{1-[3-(1H-1,2,3-triazol-1-yl)propanoyl]-1,2,5,6-tetrahydropyridin-3-yl}-1H-indol-2-yl}formamido)hexanamido]butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-[6-(N-methyl-1-{4-[4-(methylamino)phenyl]-6-{1-[3-(1H-1,2,3-triazol-1-yl)propanoyl]-1,2,5,6-tetrahydropyridin-3-yl}-1H-indol-2-yl}formamido)hexanamido]butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:InChIKey=ZCJZYGDOKZRBCW-YSWDPXALSA-N

分子式:C55H67N11O6S
分子量:1010.27
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNc1ccc(cc1)-c1cc(cc2[nH]c(cc12)C(=O)N(C)CCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C1=CCCN(C1)C(=O)CCn1ccnn1
SMILES:CNc1ccc(cc1)-c1cc(cc2[nH]c(cc12)C(=O)N(C)CCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)C1=CCCN(C1)C(=O)CCn1ccnn1

KT621 Analog 2 通过 Meso Scale Discovery Assay（MSDA) 方法测量了对 STAT6 的 DC50 值> 1 µM，该检测是在 37°C 下对人类细胞系 A549 进行 24 小时培养后得出的结果。

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