2-(5-Hydroxymethyl-8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol | 301317-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(5-Hydroxymethyl-8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol
• 英文别名: 2-[5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
• CAS: 301317-79-3
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.333
• InChiKey: XQPYFQDHBGUIBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Method of screening compounds
  申请人：Zon I. Leonard

  公开号：US20050155087A1

  公开（公告）日：2005-07-14

  The present invention is directed to a novel, target-blind approach to drug discovery. The concept is to model human phenotypes in a teleost, such as a zebrafish, and then screen compounds, e.g., small molecules, for their ability to alter the phenotype. Because the screen is performed with a whole vertebrate organism and uses a phenotype as the output, the need to first identify target genes is eliminated. This approach is powerful because a single screen can theoretically detect drugs affecting any target relevant to the phenotype being observed, even if those targets are not yet characterized.

  本发明涉及一种新颖的、无靶点的药物发现方法。其概念是在鱼类（如斑马鱼）中建模人类表型，然后筛选化合物（如小分子）以评估其改变表型的能力。由于筛选是通过整个脊椎动物进行，并以表型作为输出，因此无需首先识别靶基因。这种方法非常强大，因为一个筛选可以理论上检测影响观察到的表型相关的任何靶标的药物，即使这些靶标尚未被表征。
• METHOD OF SCREENING COMPOUNDS
  申请人：CHILDREN'S MEDICAL CENTER CORPORATION

  公开号：EP1463820A1

  公开（公告）日：2004-10-06
• EP1463820A4
  申请人：——

  公开号：EP1463820A4

  公开（公告）日：2007-09-05
• [EN] METHOD OF SCREENING COMPOUNDS<br/>[FR] PROCEDE DE CRIBLAGE DE COMPOSES
  申请人：CHILDRENS MEDICAL CENTER

  公开号：WO2003052106A1

  公开（公告）日：2003-06-26

  The present invention is directed to a novel, target-blind approach to drug discovery. The concept is to model human phenotypes in a teleost, such as a zebrafish, and then screen compounds, e.g., small molecules, for their ability to alter the phenotype. Because the screen is performed with a whole vertebrate organism and uses a phenotype as the output, the need to first identify target genes is eliminated. This approach is powerful because a single screen can theoretically detect drugs affecting any target relevant to the phenotype being observed, even if those targets are not yet characterized.