Name: MM-589
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666096
Cas No:2097887-20-0
常用名:MM-589
IUPAC:N-[(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl]-2-methylpropanamide
IUPAC:N-[(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl]-2-methylpropanamide
InChI key:ZAIPJVQTYUSDTG-LDFBIXNTSA-N

分子式:C28H44N8O5
分子量:572.711
氢键供体数 (HBD):8
氢键受体数 (HBA):8
LogP:-1.0257903
SMILES:CC[C@@H]1NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@@](C)(CCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C
SMILES:CC[C@@H]1NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@@](C)(CCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C

MM-589 is a potent WD repeat domain 5 (WDR5) inhibitor and mixed lineage leukemia (MLL) protein-protein interaction.

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