1-(1-(3-phenoxypropyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one | 1207063-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(1-(3-phenoxypropyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
• 英文别名: 3-[1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
• CAS: 1207063-46-4
• 化学式: C₂₁H₂₃N₃O₂
• 分子量: 349.433
• InChiKey: QUTRXBLCRTVIGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 5HT7 receptor ligands and compositions comprising the same
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2149373A1

  公开（公告）日：2010-02-03

  The present invention relates to compounds having pharmacological activity towards the 5-HT7 receptor, especially as agonists, identified by using a pharmacophore and a descriptor's profile filter as well as to pharmaceutical compositions comprising them. These compounds are useful in therapy in particular for the treatment and or prophylaxis of a disease in which 5-HT7 is involved, such as CNS disorders.

  本发明涉及具有药理活性的化合物，特别是作为5-HT7受体激动剂，通过使用药效团和描述符的配置文件筛选识别，以及包含它们的药物组合物。这些化合物在治疗中特别有用，特别是用于治疗和/或预防涉及5-HT7的疾病，如中枢神经系统紊乱。
• Method for screening of 5HT7 receptor ligands based on a new pharmacophore model and a descriptor's profile filter
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2151777A1

  公开（公告）日：2010-02-10

  The present invention relates to compounds having pharmacological activity towards the 5-HT7 receptor; to a method for identifying them as 5-HT7 ligands, especially as agonists, by using a pharmacophore and a descriptor's profile filter; to pharmaceutical compositions comprising them; and to their use in therapy, in particular for the treatment and or prophylaxis of a disease in which 5-HT7 is involved, such as CNS disorders.

  本发明涉及对5-HT7受体具有药理活性的化合物；涉及通过使用药效谱和描述符特征过滤器将它们鉴定为5-HT7配体，特别是激动剂的方法；涉及包含它们的药物组合物；涉及它们在治疗中的用途，特别是用于治疗和预防5-HT7参与的疾病，如中枢神经系统疾病。
• METHOD FOR SCREENING OF 5HT7 RECEPTOR LIGANDS BASED ON A NEW PHARMACOPHORE MODEL AND A DESCRIPTOR'S PROFILE FILTER
  申请人：Pascual-Ramon Rosalia

  公开号：US20110124657A1

  公开（公告）日：2011-05-26

  The present invention relates to compounds having pharmacological activity towards the 5-HT 7 receptor; to a method for identifying them as 5-HT 7 ligands, especially as agonists, by using a pharmacophore and a descriptor's profile filter; to pharmaceutical compositions comprising them; and to their use in therapy, in particular for the treatment and or prophylaxis of a disease in which 5-HT 7 is involved, such as CNS disorders.
• 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME
  申请人：Pascual-Ramon Rosalia

  公开号：US20110183991A1

  公开（公告）日：2011-07-28

  The present invention relates to compounds having pharmacological activity towards the 5-HT 7 receptor, especially as agonists, identified by using a pharmacophore and a descriptor's profile filter as well as to pharmaceutical compositions comprising them. These compounds are useful in therapy in particular for the treatment and or prophylaxis of a disease in which 5-HT 7 is involved, such as CNS disorders.
• [EN] METHOD FOR SCREENING OF 5HT7 RECEPTOR LIGANDS BASED ON A NEW PHARMACOPHORE MODEL AND A DESCRIPTOR'S PROFILE FILTER<br/>[FR] PROCÉDÉ DE CRIBLAGE DE LIGANDS DU RÉCEPTEUR 5HT7, SUR LA BASE D'UN NOUVEAU MODÈLE PHARMACOPHORE ET D'UN FILTRE DE PROFIL DE DESCRIPTEUR
  申请人：ESTEVE LABOR DR

  公开号：WO2010012811A2

  公开（公告）日：2010-02-04

  The present invention relates to compounds having pharmacological activity towards the 5-HT7 receptor; to a method for identifying them as 5-HT7 ligands, especially as agonists, by using a pharmacophore and a descriptor's profile filter; to pharmaceutical compositions comprising them; and to their use in therapy, in particular for the treatment and or prophylaxis of a disease in which 5-HT7 is involved, such as CNS disorders.