Methanone, phenyl[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]- | 858117-43-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methanone, phenyl[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
• 英文别名: phenyl-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• CAS: 858117-43-8
• 化学式: C₁₈H₁₂N₂OS
• 分子量: 304.4
• InChiKey: SBDAWMRXCRMMTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Compounds and methods for development of Ret modulators
  申请人：Ibrahim Prabha

  公开号：US20070049615A1

  公开（公告）日：2007-03-01

  Compounds active on Ret are described, as well as methods of using such compounds. Also described are crystal structures of Ret surrogates that were determined using X-ray crystallography. The use of such Ret surrogate crystals and strucural information can, for example, be used for identifying molecular scaffolds and for developing ligands that bind to and modulate Ret and for identifying improved ligands based on known ligands.

  描述了对Ret具有活性的化合物，以及使用这些化合物的方法。还描述了通过X射线晶体学确定的Ret替代物的晶体结构。例如，使用这些Ret替代物晶体和结构信息可以用于识别分子支架，开发与Ret结合并调节其活性的配体，以及基于已知配体识别改进的配体。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Plexxikon Inc.

  公开号：US20160176865A1

  公开（公告）日：2016-06-23

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  本文描述了在蛋白激酶上活性化合物，以及使用这些化合物治疗与蛋白激酶异常活动相关的疾病和状况的方法。
• Compounds and methods for development of Ret Modulators
  申请人：Ibrahim Prabha

  公开号：US20100324065A1

  公开（公告）日：2010-12-23

  Compounds active on Ret are described, as well as methods of using such compounds. Also described are crystal structures of Ret surrogates that were determined using X-ray crystallography. The use of such Ret surrogate crystals and structural information can, for example, be used for identifying molecular scaffolds and for developing ligands that bind to and modulate Ret and for identifying improved ligands based on known ligands.

  本文描述了对Ret活性有影响的化合物，以及使用这些化合物的方法。还描述了使用X射线晶体学确定的Ret代用物的晶体结构。使用这种Ret代用物晶体和结构信息，例如可以用于识别分子支架并开发与调节Ret结合的配体，并根据已知配体识别改进的配体。
• COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS
  申请人：PLEXXIKON INC.

  公开号：EP1696920B1

  公开（公告）日：2014-10-29
• US7504509B2
  申请人：——

  公开号：US7504509B2

  公开（公告）日：2009-03-17