4-[(E)-[3,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolidin-4-ylidene]methyl]thiophene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(E)-[3,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolidin-4-ylidene]methyl]thiophene-2-carboxylic acid
• 化学式: C₁₆H₉F₃N₂O₄S
• 分子量: 382.3
• InChiKey: HRSDOUZKPOENIY-NYYWCZLTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS<br/>[FR] PETITES MOLÉCULES INHIBITRICES CIBLANT LES FACTEURS D'ÉCHANGE DE NUCLÉOTIDE GUANYLIQUE SUR RHO COUPLÉS AUX PROTÉINES G
  申请人：CHILDRENS HOSP MEDICAL CENTER

  公开号：WO2014120683A1

  公开（公告）日：2014-08-07

  Provided are inhbitors of Rho GTPase activation, and, in particular, compounds that inhibit RhoA activation by an RhoGEF. Also provided are related pharmaceutical compositions and methods. Also provided are methods of inhibiting Rho GTPase activation. Also provided are methods of screening for compounds that inhibit Rho GTPase activation by a RhoGEF.