1-(4-Chlorobenzyl)-5-methylimidazole-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-Chlorobenzyl)-5-methylimidazole-4-carboxylic acid
• 英文别名: 1-[(4-chlorophenyl)methyl]-5-methylimidazole-4-carboxylic acid
• 化学式: C₁₂H₁₁ClN₂O₂
• 分子量: 250.68
• InChiKey: RULYNXJFRYYHRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• REL INHIBITORS AND METHODS OF USE THEREOF
  申请人：Chen Youhai H.

  公开号：US20110118325A1

  公开（公告）日：2011-05-19

  This invention provides REL inhibitors which interfere with the DNA binding capacity of a REL protein. Additionally this invention provides methods of treating, abrogating, or preventing diseases which respond with a positive clinical score to a REL inhibitor. Methods of identifying REL inhibitor based on a REL protein three dimensional model are described.