3-{2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-{2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
• 英文别名: 3-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]benzoic acid
• 化学式: C₂₆H₂₇N₃O₅S
• mdl: MFCD06015565
• 分子量: 493.6
• InChiKey: YSEYIDAXQSRKGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• INHIBITORS OF ACTIVIN-LIKE RECEPTOR KINASES
  申请人：The Texas A&M University System

  公开号：US20160206613A1

  公开（公告）日：2016-07-21

  The claimed invention is directed to a method for screening a compound that binds to an allosteric site of ALK2, the method comprising screening for a compound that is capable of destabilizing the ALK2 protein. A further aspect of the invention is directed to a pharmaceutical composition for the treatment and/or prophylaxis of a disease in a vertebrate, said composition comprising at least one ALK receptor kinase inhibitor, and optionally a pharmaceutically acceptable carrier, adjuvant and/or diluent.
• US9974784B2
  申请人：——

  公开号：US9974784B2

  公开（公告）日：2018-05-22