Danoprevir (BioDeep_00000177943)
human metabolite blood metabolite
代谢物信息卡片
化学式: C35H46FN5O9S (731.3)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(blood) 93.75%
分子结构信息
SMILES: CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C2CC(CN2C1=O)OC(=O)N1CC2=C(C1)C(F)=CC=C2)C(=O)NS(=O)(=O)C1CC1
InChI: InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)
描述信息
同义名列表
7 个代谢物同义名
14-{[(tert-butoxy)carbonyl]amino}-4-[(cyclopropanesulfonyl)carbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-18-yl 4-fluoro-2,3-dihydro-1H-isoindole-2-carboxylate; 14-[(tert-butoxycarbonyl)amino]-4-(cyclopropanesulfonylcarbamoyl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-18-yl 4-fluoro-1,3-dihydroisoindole-2-carboxylate; Danoprevir; R7227 CPD; ITMN 191; ITMN-191; ITMN191
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。
| 亚细胞结构定位 | 关联基因列表 |
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文献列表
- Guolan Wu, Huili Zhou, Jing Wu, Duo Lv, Lihua Wu, You Zhai, Meihua Lin, Jingzi J Wu, Jianzhong Shentu. Pharmacokinetics, Safety, and Tolerability of Ravidasvir, with and without Danoprevir/Ritonavir, in Healthy Subjects.
Antimicrobial agents and chemotherapy.
2021 09; 65(10):e0060021. doi:
10.1128/aac.00600-21. [PMID: 34252301] - Sekhar Talluri. Molecular Docking and Virtual Screening Based Prediction of Drugs for COVID-19.
Combinatorial chemistry & high throughput screening.
2021; 24(5):716-728. doi:
10.2174/1386207323666200814132149. [PMID: 32798373] - Abid H Banday, Shameem A Shameem, Sheikh J Ajaz. Potential Repurposed Therapeutics and New Vaccines against COVID-19 and Their Clinical Status.
SLAS discovery : advancing life sciences R & D.
2020 12; 25(10):1097-1107. doi:
10.1177/2472555220945281. [PMID: 32692266] - Hongyi Chen, Zhicheng Zhang, Li Wang, Zhihua Huang, Fanghua Gong, Xiaodong Li, Yahong Chen, Jinzi J Wu. First clinical study using HCV protease inhibitor danoprevir to treat COVID-19 patients.
Medicine.
2020 Nov; 99(48):e23357. doi:
10.1097/md.0000000000023357. [PMID: 33235105] - Zhicheng Zhang, Shumei Wang, Xianglin Tu, Xuping Peng, Yanxia Huang, Li Wang, Weihua Ju, Jianfeng Rao, Xue Li, Donghong Zhu, Huabao Sun, Hongyi Chen. A comparative study on the time to achieve negative nucleic acid testing and hospital stays between danoprevir and lopinavir/ritonavir in the treatment of patients with COVID-19.
Journal of medical virology.
2020 11; 92(11):2631-2636. doi:
10.1002/jmv.26141. [PMID: 32501538] - Barbara J Brennan, Agnès Poirier, Sebastian Moreira, Peter N Morcos, Petra Goelzer, Renée Portmann, Jiney Asthappan, Christoph Funk, Patrick F Smith. Characterization of the transmembrane transport and absolute bioavailability of the HCV protease inhibitor danoprevir.
Clinical pharmacokinetics.
2015 May; 54(5):537-49. doi:
10.1007/s40262-014-0222-6. [PMID: 25488594] - Peter N Morcos, Linda Chang, Mercidita Navarro, Diana Chung, Patrick F Smith, Barbara J Brennan, Jonathan Q Tran. Two-way interaction study between ritonavir boosted danoprevir, a potent HCV protease inhibitor, and ketoconazole in healthy subjects.
International journal of clinical pharmacology and therapeutics.
2014 Feb; 52(2):103-11. doi:
10.5414/cp201922. [PMID: 24290411] - Peter N Morcos, Sebastian A Moreira, Mercidita T Navarro, Núria Bech, Amanda Quatkemeyer, Patrick F Smith, Barbara J Brennan. Effect of meal and antisecretory agents on the pharmacokinetics of danoprevir/ritonavir in healthy volunteers.
The Journal of pharmacy and pharmacology.
2014 Jan; 66(1):23-31. doi:
10.1111/jphp.12151. [PMID: 24117531] - Peter N Morcos, Linda Chang, Rohit Kulkarni, Mylene Giraudon, Nancy Shulman, Barbara J Brennan, Patrick F Smith, Jonathan Q Tran. A randomised study of the effect of danoprevir/ritonavir or ritonavir on substrates of cytochrome P450 (CYP) 3A and 2C9 in chronic hepatitis C patients using a drug cocktail.
European journal of clinical pharmacology.
2013 Nov; 69(11):1939-49. doi:
10.1007/s00228-013-1556-y. [PMID: 23872824] - Libin Rong, Jeremie Guedj, Harel Dahari, Daniel J Coffield, Micha Levi, Patrick Smith, Alan S Perelson. Analysis of hepatitis C virus decline during treatment with the protease inhibitor danoprevir using a multiscale model.
PLoS computational biology.
2013; 9(3):e1002959. doi:
10.1371/journal.pcbi.1002959. [PMID: 23516348] - Micaela B Reddy, Yuan Chen, Joshua O Haznedar, Jennifer Fretland, Steven Blotner, Patrick Smith, Jonathan Q Tran. Impact of low-dose ritonavir on danoprevir pharmacokinetics: results of computer-based simulations and a clinical drug-drug interaction study.
Clinical pharmacokinetics.
2012 Jul; 51(7):457-65. doi:
10.2165/11599700-000000000-00000. [PMID: 22624502] - Tom W Chu, Rohit Kulkarni, Edward J Gane, Stuart K Roberts, Catherine Stedman, Peter W Angus, Brett Ritchie, Xiao-Yu Lu, David Ipe, Uri Lopatin, Soren Germer, Victor A Iglesias, Robert Elston, Patrick F Smith, Nancy S Shulman. Effect of IL28B genotype on early viral kinetics during interferon-free treatment of patients with chronic hepatitis C.
Gastroenterology.
2012 Apr; 142(4):790-5. doi:
10.1053/j.gastro.2011.12.057. [PMID: 22248659] - Caralee J Schaefer, Karl Kossen, Sharlene R Lim, Jiing-Huey Lin, Lin Pan, Williamson Bradford, Patrick F Smith, Scott D Seiwert. Danoprevir monotherapy decreases inflammatory markers in patients with chronic hepatitis C virus infection.
Antimicrobial agents and chemotherapy.
2011 Jul; 55(7):3125-32. doi:
10.1128/aac.00131-11. [PMID: 21502634] - Nicole Forestier, Dominique Larrey, Dominique Guyader, Patrick Marcellin, Régine Rouzier, Alain Patat, Patrick Smith, Williamson Bradford, Steven Porter, Lawrence Blatt, Scott D Seiwert, Stefan Zeuzem. Treatment of chronic hepatitis C patients with the NS3/4A protease inhibitor danoprevir (ITMN-191/RG7227) leads to robust reductions in viral RNA: a phase 1b multiple ascending dose study.
Journal of hepatology.
2011 Jun; 54(6):1130-6. doi:
10.1016/j.jhep.2010.11.001. [PMID: 21145848] - Rami Moucari, Nicole Forestier, Dominique Larrey, Dominique Guyader, Patrice Couzigou, Yves Benhamou, Hélène Voitot, Michel Vidaud, Scott Seiwert, Bill Bradford, Stefan Zeuzem, Patrick Marcellin. Danoprevir, an HCV NS3/4A protease inhibitor, improves insulin sensitivity in patients with genotype 1 chronic hepatitis C.
Gut.
2010 Dec; 59(12):1694-8. doi:
10.1136/gut.2010.219089. [PMID: 20861007] - Melanie Deutsch, George V Papatheodoridis. Danoprevir, a small-molecule NS3/4A protease inhibitor for the potential oral treatment of HCV infection.
Current opinion in investigational drugs (London, England : 2000).
2010 Aug; 11(8):951-63. doi:
NULL. [PMID: 20721837]
