Nesbuvir (BioDeep_00000181629)

   

human metabolite blood metabolite


代谢物信息卡片


5-Cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulphonyl)amino]-N-methyl-1-benzofuran-3-carboxamide

化学式: C22H23FN2O5S (446.131164)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 97.19%

分子结构信息

SMILES: CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(CCO)S(=O)(=O)C)C4=CC=C(C=C4)F
InChI: InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)

描述信息

C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor
C254 - Anti-Infective Agent > C281 - Antiviral Agent

同义名列表

6 个代谢物同义名

5-Cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulphonyl)amino]-N-methyl-1-benzofuran-3-carboxamide; 5-Cyclopropyl-2-(4-fluorophenyl)-6-[N-(2-hydroxyethyl)methanesulphonamido]-N-methyl-1-benzofuran-3-carboxamide; 5-cyclopropyl-2-(4-fluorophenyl)-6-[N-(2-hydroxyethyl)methanesulfonamido]-N-methyl-1-benzofuran-3-carboxamide; Nesbuvir; HCV-796; HCV 796



数据库引用编号

5 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

  • Gururaj Kalkeri, Chao Lin, Jenna Gopilan, Kevin Sloan, Rene Rijnbrand, Ann D Kwong. Restoration of the activated Rig-I pathway in hepatitis C virus (HCV) replicon cells by HCV protease, polymerase, and NS5A inhibitors in vitro at clinically relevant concentrations. Antimicrobial agents and chemotherapy. 2013 Sep; 57(9):4417-26. doi: 10.1128/aac.00399-13. [PMID: 23836176]
  • Vincenzo Summa, Steven W Ludmerer, John A McCauley, Christine Fandozzi, Christine Burlein, Giuliano Claudio, Paul J Coleman, Jillian M Dimuzio, Marco Ferrara, Marcello Di Filippo, Adam T Gates, Donald J Graham, Steven Harper, Daria J Hazuda, Qian Huang, Carolyn McHale, Edith Monteagudo, Vincenzo Pucci, Michael Rowley, Michael T Rudd, Aileen Soriano, Mark W Stahlhut, Joseph P Vacca, David B Olsen, Nigel J Liverton, Steven S Carroll. MK-5172, a selective inhibitor of hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants. Antimicrobial agents and chemotherapy. 2012 Aug; 56(8):4161-7. doi: 10.1128/aac.00324-12. [PMID: 22615282]
  • Ariel Feldstein, David Kleiner, David Kravetz, Martina Buck. Severe hepatocellular injury with apoptosis induced by a hepatitis C polymerase inhibitor. Journal of clinical gastroenterology. 2009 Apr; 43(4):374-81. doi: 10.1097/mcg.0b013e318178d91f. [PMID: 19098685]
  • Koleen J Herlihy, Joanne P Graham, Robert Kumpf, Amy K Patick, Rohit Duggal, Stephanie T Shi. Development of intergenotypic chimeric replicons to determine the broad-spectrum antiviral activities of hepatitis C virus polymerase inhibitors. Antimicrobial agents and chemotherapy. 2008 Oct; 52(10):3523-31. doi: 10.1128/aac.00533-08. [PMID: 18694956]