4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid (BioDeep_00000181022)

   

human metabolite blood metabolite


代谢物信息卡片


4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2,4,6,9,12,14-heptaen-4-yl]amino}benzoic acid

化学式: C25H15ClF2N4O2 (476.08515439999996)
中文名称: 4-[[9-氯-7-(2,6-二氟苯基)-5H-嘧啶并[5,4-d][2]苯并氮杂卓-2-基]氨基]苯甲酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O
InChI: InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)

描述信息

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

同义名列表

5 个代谢物同义名

4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2,4,6,9,12,14-heptaen-4-yl]amino}benzoic acid; 4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2,4,6,9,12,14-heptaen-4-yl]amino}benzoate; 4-((9-chloro-7-(2,6-Difluorophenyl)-5H-pyrimidol(5,4-D)(2)benzazepin-2-yl)amino)benzoic acid; 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid; MLN8054



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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BioCyc(0)

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INOH(0)

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1 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

  • Nicole Willemsen-Seegers, Joost C M Uitdehaag, Martine B W Prinsen, Judith R F de Vetter, Jos de Man, Masaaki Sawa, Yusuke Kawase, Rogier C Buijsman, Guido J R Zaman. Compound Selectivity and Target Residence Time of Kinase Inhibitors Studied with Surface Plasmon Resonance. Journal of molecular biology. 2017 02; 429(4):574-586. doi: 10.1016/j.jmb.2016.12.019. [PMID: 28043854]
  • E Claire Dees, Jeffrey R Infante, Roger B Cohen, Bert H O'Neil, Suzanne Jones, Margaret von Mehren, Hadi Danaee, Yih Lee, Jeffrey Ecsedy, Mark Manfredi, Katherine Galvin, Bradley Stringer, Hua Liu, Omar Eton, Howard Fingert, Howard Burris. Phase 1 study of MLN8054, a selective inhibitor of Aurora A kinase in patients with advanced solid tumors. Cancer chemotherapy and pharmacology. 2011 Apr; 67(4):945-54. doi: 10.1007/s00280-010-1377-y. [PMID: 20607239]
  • Teresa Macarulla, Andres Cervantes, Elena Elez, Edith Rodríguez-Braun, José Baselga, Susana Roselló, Gemma Sala, Inma Blasco, Hadi Danaee, Yih Lee, Jeffrey Ecsedy, Vaishali Shinde, Arijit Chakravarty, Douglas Bowman, Hua Liu, Omar Eton, Howard Fingert, Josep Tabernero. Phase I study of the selective Aurora A kinase inhibitor MLN8054 in patients with advanced solid tumors: safety, pharmacokinetics, and pharmacodynamics. Molecular cancer therapeutics. 2010 Oct; 9(10):2844-52. doi: 10.1158/1535-7163.mct-10-0299. [PMID: 20724522]
  • Nicholas D Adams, Jerry L Adams, Joelle L Burgess, Amita M Chaudhari, Robert A Copeland, Carla A Donatelli, David H Drewry, Kelly E Fisher, Toshihiro Hamajima, Mary Ann Hardwicke, William F Huffman, Kristin K Koretke-Brown, Zhihong V Lai, Octerloney B McDonald, Hiroko Nakamura, Ken A Newlander, Catherine A Oleykowski, Cynthia A Parrish, Denis R Patrick, Ramona Plant, Martha A Sarpong, Kosuke Sasaki, Stanley J Schmidt, Domingos J Silva, David Sutton, Jun Tang, Christine S Thompson, Peter J Tummino, Jamin C Wang, Hong Xiang, Jingsong Yang, Dashyant Dhanak. Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase. Journal of medicinal chemistry. 2010 May; 53(10):3973-4001. doi: 10.1021/jm901870q. [PMID: 20420387]