Doramapimod (BioDeep_00000388512)

   


代谢物信息卡片


Doramapimod

化学式: C31H37N5O3 (527.2896252)
中文名称: 达马莫德
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
InChI: InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)

描述信息

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
Doramapimod (BIRB 796) is an orally active, highly potent p38 MAPK inhibitor, which has an IC50 for p38α=38 nM, for p38β=65 nM, for p38γ=200 nM, and for p38δ=520 nM. Doramapimod has picomolar affinity for p38 kinase (Kd=0.1 nM). Doramapimod also inhibits B-Raf with an IC50 of 83 nM[1][2].

同义名列表

2 个代谢物同义名

Doramapimod; BIRB 796



数据库引用编号

9 个数据库交叉引用编号

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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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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。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • M H Raymonda, J H Ciesla, M Monaghan, J Leach, G Asantewaa, L A Smorodintsev-Schiller, M M Lutz, X L Schafer, T Takimoto, S Dewhurst, J Munger, I S Harris. Pharmacologic profiling reveals lapatinib as a novel antiviral against SARS-CoV-2 in vitro. Virology. 2022 01; 566(?):60-68. doi: 10.1016/j.virol.2021.11.008. [PMID: 34871905]
  • Frank Guarnieri. Designing an orally available nontoxic p38 inhibitor with a fragment-based strategy. Methods in molecular biology (Clifton, N.J.). 2015; 1289(?):211-26. doi: 10.1007/978-1-4939-2486-8_15. [PMID: 25709042]
  • Christian Grütter, Jeffrey R Simard, Svenja C Mayer-Wrangowski, Peter H Schreier, José Pérez-Martín, André Richters, Matthäus Getlik, Oliver Gutbrod, Christoph A Braun, Michael E Beck, Daniel Rauh. Targeting GSK3 from Ustilago maydis: type-II kinase inhibitors as potential antifungals. ACS chemical biology. 2012 Jul; 7(7):1257-67. doi: 10.1021/cb300128b. [PMID: 22545924]
  • Joon-Keun Park, Robert Fischer, Ralf Dechend, Erdenechimeg Shagdarsuren, Andrej Gapeljuk, Maren Wellner, Silke Meiners, Petra Gratze, Nidal Al-Saadi, Sandra Feldt, Anette Fiebeler, Jeffrey B Madwed, Alexander Schirdewan, Hermann Haller, Friedrich C Luft, Dominik N Muller. p38 mitogen-activated protein kinase inhibition ameliorates angiotensin II-induced target organ damage. Hypertension (Dallas, Tex. : 1979). 2007 Mar; 49(3):481-9. doi: 10.1161/01.hyp.0000256831.33459.ea. [PMID: 17224470]
  • Zachary A Knight, Kevan M Shokat. Features of selective kinase inhibitors. Chemistry & biology. 2005 Jun; 12(6):621-37. doi: 10.1016/j.chembiol.2005.04.011. [PMID: 15975507]
  • Bernt van den Blink, Judith Branger, Sebastiaan Weijer, Abhya Gupta, Sander J H van Deventer, Maikel P Peppelenbosch, Tom van der Poll. P38 mitogen activated protein kinase is involved in the downregulation of granulocyte CXC chemokine receptors 1 and 2 during human endotoxemia. Journal of clinical immunology. 2004 Jan; 24(1):37-41. doi: 10.1023/b:joci.0000018061.58504.75. [PMID: 14997032]
  • Judith Branger, Bernt van den Blink, Sebastiaan Weijer, Abhya Gupta, Sander J H van Deventer, C Erik Hack, Maikel P Peppelenbosch, Tom van der Poll. Inhibition of coagulation, fibrinolysis, and endothelial cell activation by a p38 mitogen-activated protein kinase inhibitor during human endotoxemia. Blood. 2003 Jun; 101(11):4446-8. doi: 10.1182/blood-2002-11-3338. [PMID: 12576315]