Batefenterol (BioDeep_00000015463)

   


代谢物信息卡片


Batefenterol

化学式: C40H42ClN5O7 (739.2772611999999)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=CC(=C(C=C1CNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6
InChI: InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1

描述信息

C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Batefenterol (GSK961081;TD-5959) is a novel muscarinic receptor antagonist and β2-adrenoceptor agonist; displays high affinity for hM2, hM3 muscarinic and hβ2-adrenoceptor with Ki values of 1.4, 1.3 and 3.7 nM, respectively.

同义名列表

3 个代谢物同义名

Batefenterol; GSK961081; TD-5959



数据库引用编号

7 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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INOH(0)

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0 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

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文献列表

  • Huihui Ti, Yang Zhou, Xue Liang, Runfeng Li, Ke Ding, Xin Zhao. Targeted Treatments for Chronic Obstructive Pulmonary Disease (COPD) Using Low-Molecular-Weight Drugs (LMWDs). Journal of medicinal chemistry. 2019 07; 62(13):5944-5978. doi: 10.1021/acs.jmedchem.8b01520. [PMID: 30682248]
  • Claire Ambery, Graeme Young, Teresa Fuller, Alex Georgiou, David Ramsay, Adeep Puri, Peter Daley-Yates. Open-Label, Crossover Study to Determine the Pharmacokinetics of Fluticasone Furoate and Batefenterol When Administered Alone, in Combination, or Concurrently. Clinical pharmacology in drug development. 2019 02; 8(2):188-197. doi: 10.1002/cpdd.603. [PMID: 30070770]
  • Claire Ambery, Graeme Young, Teresa Fuller, Aili L Lazaar, Adrian Pereira, Adam Hughes, David Ramsay, Frans van den Berg, Peter Daley-Yates. Pharmacokinetics, Excretion, and Mass Balance of [14 C]-Batefenterol Following a Single Microtracer Intravenous Dose (Concomitant to an Inhaled Dose) or Oral Dose of Batefenterol in Healthy Men. Clinical pharmacology in drug development. 2018 11; 7(8):901-910. doi: 10.1002/cpdd.616. [PMID: 30230263]
  • Claire Ambery, Kylie Riddell, Peter Daley-Yates. Open-Label, Randomized, 6-Way Crossover, Single-Dose Study to Determine the Pharmacokinetics of Batefenterol (GSK961081) and Fluticasone Furoate When Administered Alone or in Combination. Clinical pharmacology in drug development. 2016 Sep; 5(5):399-407. doi: 10.1002/cpdd.274. [PMID: 27170445]
  • Claire L Ambery, Pascal Wielders, Andrea Ludwig-Sengpiel, Robert Chan, John H Riley. Population Pharmacokinetics and Pharmacodynamics of GSK961081 (Batefenterol), a Muscarinic Antagonist and β2-Agonist, in Moderate-to-Severe COPD Patients: Substudy of a Randomized Trial. Drugs in R&D. 2015 Sep; 15(3):281-91. doi: 10.1007/s40268-015-0104-x. [PMID: 26286203]
  • Virginia Norris, Claire Ambery, Trevor Riley. Pharmacokinetics and pharmacodynamics of GSK961081, a novel inhaled muscarinic antagonist β2 -agonist, and fluticasone propionate administered alone, concurrently and as a combination blend formulation in healthy volunteers. Clinical pharmacology in drug development. 2014 07; 3(4):305-13. doi: 10.1002/cpdd.105. [PMID: 27128837]