N-[4-(3-Amino-1h-indazol-4-yl)phenyl]-n1-(2-fluoro-5-methylphenyl) urea (BioDeep_00000183285)

   

human metabolite blood metabolite


代谢物信息卡片


N-[4-(3-Amino-1H-indazol-4-yl)phenyl]-N-(2-fluoro-5-methylphenyl)carbamimidate

化学式: C21H18FN5O (375.14953099999997)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 50%

分子结构信息

SMILES: CC1=CC(=C(C=C1)F)N(C2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N)C(=O)N
InChI: InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)27(21(24)28)14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)26-25-17/h2-11H,1H3,(H2,24,28)(H3,23,25,26)



数据库引用编号

3 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

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

  • Nizar M Tannir, Yu-Ning Wong, Christian K Kollmannsberger, Marc S Ernstoff, David J Perry, Leonard J Appleman, Edwin M Posadas, Daniel Cho, Toni K Choueiri, Andrew Coates, Neeraj Gupta, Rajendra Pradhan, Jiang Qian, Jihong Chen, Frank A Scappaticci, Justin L Ricker, Dawn M Carlson, M Dror Michaelson. Phase 2 trial of linifanib (ABT-869) in patients with advanced renal cell cancer after sunitinib failure. European journal of cancer (Oxford, England : 1990). 2011 Dec; 47(18):2706-14. doi: 10.1016/j.ejca.2011.09.002. [PMID: 22078932]
  • Chiung-Ing Wong, Tong-San Koh, Ross Soo, Septian Hartono, Choon-Hua Thng, Evelyn McKeegan, Wei-Peng Yong, Chien-Shing Chen, Soo-Chin Lee, John Wong, Robert Lim, Norita Sukri, Siew-Eng Lim, Ai-Bee Ong, Joyce Steinberg, Neeraj Gupta, Rajendra Pradhan, Rod Humerickhouse, Boon-Cher Goh. Phase I and biomarker study of ABT-869, a multiple receptor tyrosine kinase inhibitor, in patients with refractory solid malignancies. Journal of clinical oncology : official journal of the American Society of Clinical Oncology. 2009 Oct; 27(28):4718-26. doi: 10.1200/jco.2008.21.7125. [PMID: 19720910]
  • Huaiqin Wu, Jun Zhang, Katherine Norem, Tawakol A El-Shourbagy. Simultaneous determination of a hydrophobic drug candidate and its metabolite in human plasma with salting-out assisted liquid/liquid extraction using a mass spectrometry friendly salt. Journal of pharmaceutical and biomedical analysis. 2008 Dec; 48(4):1243-8. doi: 10.1016/j.jpba.2008.09.002. [PMID: 18926659]
  • Daniel H Albert, Paul Tapang, Terrance J Magoc, Lori J Pease, David R Reuter, Ru-Qi Wei, Junling Li, Jun Guo, Peter F Bousquet, Nayereh S Ghoreishi-Haack, Baole Wang, Gail T Bukofzer, Yi-Chun Wang, Jason A Stavropoulos, Kresna Hartandi, Amanda L Niquette, Nirupama Soni, Eric F Johnson, J Owen McCall, Jennifer J Bouska, Yanping Luo, Cherrie K Donawho, Yujia Dai, Patrick A Marcotte, Keith B Glaser, Michael R Michaelides, Steven K Davidsen. Preclinical activity of ABT-869, a multitargeted receptor tyrosine kinase inhibitor. Molecular cancer therapeutics. 2006 Apr; 5(4):995-1006. doi: 10.1158/1535-7163.mct-05-0410. [PMID: 16648571]
  • Ramona C Rodila, Joseph C Kim, Qin C Ji, Tawakol A El-Shourbagy. A high-throughput, fully automated liquid/liquid extraction liquid chromatography/mass spectrometry method for the quantitation of a new investigational drug ABT-869 and its metabolite A-849529 in human plasma samples. Rapid communications in mass spectrometry : RCM. 2006; 20(20):3067-75. doi: 10.1002/rcm.2703. [PMID: 16969771]
  • Perry G Wang, Jun Zhang, Eric M Gage, Jeffrey M Schmidt, Ramona C Rodila, Qin C Ji, Tawakol A El-Shourbagy. A high-throughput liquid chromatography/tandem mass spectrometry method for simultaneous quantification of a hydrophobic drug candidate and its hydrophilic metabolite in human urine with a fully automated liquid/liquid extraction. Rapid communications in mass spectrometry : RCM. 2006; 20(22):3456-64. doi: 10.1002/rcm.2733. [PMID: 17066370]