Faldaprevir (BioDeep_00000837680)
代谢物信息卡片
化学式: C40H49BrN6O9S (868.2464924000001)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O
InChI: InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1
描述信息
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections
C254 - Anti-Infective Agent > C281 - Antiviral Agent
同义名列表
1 个代谢物同义名
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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)
0 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
- Seketoulie Keretsu, Swapnil P Bhujbal, Seung Joo Cho. Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation.
Scientific reports.
2020 10; 10(1):17716. doi:
10.1038/s41598-020-74468-0. [PMID: 33077821] - Kristi L Berger, Christoph Sarrazin, David R Nelson, Joseph Scherer, Nanshi Sha, Martin Marquis, Alexandra Côté-Martin, Richard Vinisko, Jerry O Stern, Federico J Mensa, George Kukolj. Resistance Analyses of HCV NS3/4A Protease and NS5B Polymerase from Clinical Studies of Deleobuvir and Faldaprevir.
PloS one.
2016; 11(8):e0160668. doi:
10.1371/journal.pone.0160668. [PMID: 27494410] - Christoph Sarrazin, Michael Manns, Jose Luis Calleja, Javier Garcia-Samaniego, Xavier Forns, Renee Kaste, Xiaofei Bai, Jing Wu, Jerry O Stern. HCVerso3: An Open-Label, Phase IIb Study of Faldaprevir and Deleobuvir with Ribavirin in Hepatitis C Virus Genotype-1b-Infected Patients with Cirrhosis and Moderate Hepatic Impairment.
PloS one.
2016; 11(12):e0168544. doi:
10.1371/journal.pone.0168544. [PMID: 28030579] - John P Sabo, Benjamin Lang, Mabrouk Elgadi, Fenglei Huang. Effect of the hepatitis C virus protease inhibitor faldaprevir on the pharmacokinetics of an oral contraceptive containing ethinylestradiol and levonorgestrel in healthy female volunteers.
Antimicrobial agents and chemotherapy.
2015 Jan; 59(1):514-9. doi:
10.1128/aac.03589-14. [PMID: 25385099] - David Joseph, Michael J Schobelock, Robert R Riesenberg, Bradley D Vince, Lynn R Webster, Abidemi Adeniji, Mabrouk Elgadi, Fenglei Huang. Effect of steady-state faldaprevir on the pharmacokinetics of steady-state methadone and buprenorphine-naloxone in subjects receiving stable addiction management therapy.
Antimicrobial agents and chemotherapy.
2015 Jan; 59(1):498-504. doi:
10.1128/aac.04046-14. [PMID: 25385094] - Tarik Asselah, Stefan Zeuzem, Vicente Soriano, Jean-Pierre Bronowicki, Ansgar W Lohse, Beat Müllhaupt, Marcus Schuchmann, Marc Bourlière, Maria Buti, Stuart K Roberts, Edward J Gane, Jerry O Stern, Florian Voss, Patrick Baum, John-Paul Gallivan, Wulf O Böcher, Federico J Mensa. ITPA Genotypes Predict Anemia but Do Not Affect Virological Response with Interferon-Free Faldaprevir, Deleobuvir, and Ribavirin for HCV Infection.
PloS one.
2015; 10(12):e0144004. doi:
10.1371/journal.pone.0144004. [PMID: 26650626] - Linzhi Chen, Roger St George, Stephen H Norris, Yanping Mao, Elsy Philip, Li-Quan Wang, Diana Wu, Michael J Potchoiba. Biotransformation and mass balance of faldaprevir, a hepatitis C NS3/NS4 protease inhibitor in rats.
Xenobiotica; the fate of foreign compounds in biological systems.
2014 Nov; 44(11):1014-25. doi:
10.3109/00498254.2014.920116. [PMID: 24831541] - Diane Ramsden, Donald J Tweedie, Roger St George, Lin-Zhi Chen, Yongmei Li. Generating an in vitro-in vivo correlation for metabolism and liver enrichment of a hepatitis C virus drug, faldaprevir, using a rat hepatocyte model (HepatoPac).
Drug metabolism and disposition: the biological fate of chemicals.
2014 Mar; 42(3):407-14. doi:
10.1124/dmd.113.055947. [PMID: 24366905] - Yongmei Li, Jin Zhou, Diane Ramsden, Mitchell E Taub, Drané O'Brien, Jun Xu, Carl A Busacca, Nina Gonnella, Donald J Tweedie. Enzyme-transporter interplay in the formation and clearance of abundant metabolites of faldaprevir found in excreta but not in circulation.
Drug metabolism and disposition: the biological fate of chemicals.
2014 Mar; 42(3):384-93. doi:
10.1124/dmd.113.055863. [PMID: 24346834] - Diane Ramsden, Donald J Tweedie, Tom S Chan, Mitchell E Taub, Yongmei Li. Bridging in vitro and in vivo metabolism and transport of faldaprevir in human using a novel cocultured human hepatocyte system, HepatoPac.
Drug metabolism and disposition: the biological fate of chemicals.
2014 Mar; 42(3):394-406. doi:
10.1124/dmd.113.055897. [PMID: 24366904] - Lin-Zhi Chen, Peter Rose, Yanping Mao, Chan-Loi Yong, Roger St George, Fenglei Huang, Bachir Latli, Debra Mandarino, Yongmei Li. Mass balance and metabolite profiling of steady-state faldaprevir, a hepatitis C virus NS3/4 protease inhibitor, in healthy male subjects.
Antimicrobial agents and chemotherapy.
2014; 58(4):2369-76. doi:
10.1128/aac.02156-13. [PMID: 24514093] - Shuhei Nishiguchi, Yoshiyuki Sakai, Makoto Kuboki, Satoshi Tsunematsu, Yasuhisa Urano, Wataru Sakamoto, Yasuhiro Tsuda, Gerhard Steinmann, Masao Omata. Safety and efficacy of faldaprevir with pegylated interferon alfa-2a and ribavirin in Japanese patients with chronic genotype-1 hepatitis C infection.
Liver international : official journal of the International Association for the Study of the Liver.
2014 Jan; 34(1):78-88. doi:
10.1111/liv.12254. [PMID: 23944720] - Jianmin Duan, Chan-Loi Yong, Michel Garneau, Ma'an Amad, Gordon Bolger, Josie De Marte, Hélène Montpetit, Francois Otis, Martin Jutras, Manon Rhéaume, Peter W White, Montse Llinàs-Brunet, Richard C Bethell, Michael G Cordingley. Cross-species absorption, metabolism, distribution and pharmacokinetics of BI 201335, a potent HCV genotype 1 NS3/4A protease inhibitor.
Xenobiotica; the fate of foreign compounds in biological systems.
2012 Feb; 42(2):164-72. doi:
10.3109/00498254.2011.611546. [PMID: 21988548] - Peter W White, Montse Llinàs-Brunet, Ma'an Amad, Richard C Bethell, Gordon Bolger, Michael G Cordingley, Jianmin Duan, Michel Garneau, Lisette Lagacé, Diane Thibeault, George Kukolj. Preclinical characterization of BI 201335, a C-terminal carboxylic acid inhibitor of the hepatitis C virus NS3-NS4A protease.
Antimicrobial agents and chemotherapy.
2010 Nov; 54(11):4611-8. doi:
10.1128/aac.00787-10. [PMID: 20823284]