Temsavir (BioDeep_00000176776)

 

Secondary id: BioDeep_00000014111

human metabolite blood metabolite


代谢物信息卡片


1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

化学式: C24H23N7O4 (473.18114380000003)
中文名称: 坦姆沙韦
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC
InChI: InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3

描述信息

C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent

同义名列表

4 个代谢物同义名

1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione; 1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione; BMS-626529; Temsavir



数据库引用编号

9 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

  • Tao Wang, Yasu Ueda, Zhongxing Zhang, Zhiwei Yin, John Matiskella, Bradley C Pearce, Zheng Yang, Ming Zheng, Dawn D Parker, Gregory A Yamanaka, Yi-Fei Gong, Hsu-Tso Ho, Richard J Colonno, David R Langley, Pin-Fang Lin, Nicholas A Meanwell, John F Kadow. Discovery of the Human Immunodeficiency Virus Type 1 (HIV-1) Attachment Inhibitor Temsavir and Its Phosphonooxymethyl Prodrug Fostemsavir. Journal of medicinal chemistry. 2018 07; 61(14):6308-6327. doi: 10.1021/acs.jmedchem.8b00759. [PMID: 29920093]
  • Li Zhu, Matthew Hruska, Carey Hwang, Vaishali Shah, Michael Furlong, George J Hanna, Richard Bertz, Ishani Savant Landry. Pharmacokinetic interactions between BMS-626529, the active moiety of the HIV-1 attachment inhibitor prodrug BMS-663068, and ritonavir or ritonavir-boosted atazanavir in healthy subjects. Antimicrobial agents and chemotherapy. 2015 Jul; 59(7):3816-22. doi: 10.1128/aac.04914-14. [PMID: 25870057]
  • Nannan Zhou, Beata Nowicka-Sans, Brian McAuliffe, Neelanjana Ray, Betsy Eggers, Hua Fang, Li Fan, Matthew Healy, David R Langley, Carey Hwang, Max Lataillade, George J Hanna, Mark Krystal. Genotypic correlates of susceptibility to HIV-1 attachment inhibitor BMS-626529, the active agent of the prodrug BMS-663068. The Journal of antimicrobial chemotherapy. 2014 Mar; 69(3):573-81. doi: 10.1093/jac/dkt412. [PMID: 24128669]
  • Neelanjana Ray, Carey Hwang, Matthew D Healy, Jeannette Whitcomb, Max Lataillade, Megan Wind-Rotolo, Mark Krystal, George J Hanna. Prediction of virological response and assessment of resistance emergence to the HIV-1 attachment inhibitor BMS-626529 during 8-day monotherapy with its prodrug BMS-663068. Journal of acquired immune deficiency syndromes (1999). 2013 Sep; 64(1):7-15. doi: 10.1097/qai.0b013e31829726f3. [PMID: 23614999]