N-[2-[(6E,10E,12Z)-15-chloro-16,18-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]-5-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]pentanamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: N-[2-[(6E,10E,12Z)-15-chloro-16,18-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]-5-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]pentanamide
• 化学式: C57H71ClN5O5+
• 分子量: 941.7
• InChiKey: NCSMFVNTLYMZEO-PFPODPFVSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  68
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS
  申请人：ONCOSYNERGY, INC.

  公开号：US20140135290A1

  公开（公告）日：2014-05-15

  The present invention includes macrocyclic prodrug compounds, pharmaceutical compositions containing them. The present invention also includes use of these compounds in the treatment of various diseases including an autoimmune disease, an inflammatory disease, a neurological or neurodegenerative disease, cancer, a cardiovascular disease, allergy, asthma, a hormone-related disease, and tumors or symptoms resulting from neurofibromatosis.