4-[(4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-YL)methyl]-N-[(pyridin-2-YL)methyl]cyclohexane-1-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-[(4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-YL)methyl]-N-[(pyridin-2-YL)methyl]cyclohexane-1-carboxamide
• 英文别名: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
• 化学式: C₂₂H₂₄N₄O₂S
• mdl: MFCD05032739
• 分子量: 408.5
• InChiKey: VTMMCFJKPFDVQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA
  申请人：Sirga Advanced Biopharma, Inc.

  公开号：US20150190384A1

  公开（公告）日：2015-07-09

  Disclosed herein are compounds, compositions and methods of their use to treat HIV/AIDS disease in a subject in need thereof wherein the compositions comprise small molecule inhibitors that inhibit viral preparation or viral recruitment of human tRNA3Lys.
• US9775835B2
  申请人：——

  公开号：US9775835B2

  公开（公告）日：2017-10-03
• [EN] SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DES INTERACTIONS DES PROTÉINES VIRALES AVEC L'ARNT HUMAIN
  申请人：SIRGA ADVANCED BIOPHARMA INC

  公开号：WO2014025749A2

  公开（公告）日：2014-02-13

  Disclosed herein are compounds, compositions and methods of their use to treat HIV/AIDS disease in a subject in need thereof, wherein the compositions comprise small molecule inhibitors that inhibit viral preparation or viral recruitment of human tRNA3Lys.