Beclabuvir (BioDeep_00000802623)
代谢物信息卡片
化学式: C36H45N5O5S (659.314124)
中文名称: 贝拉布韦
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CN1CC2CCC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8
InChI: InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)
描述信息
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
同义名列表
3 个代谢物同义名
数据库引用编号
10 个数据库交叉引用编号
- KEGGdrug: D10610
- PubChem: 25016295
- PubChem: 56934415
- PubChem: 49773361
- DrugBank: DB12225
- ChEMBL: CHEMBL3126839
- ChEMBL: CHEMBL4105584
- ChEMBL: CHEMBL3126842
- CAS: 1532561-48-0
- CAS: 958002-33-0
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)
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
- 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] - Emanuela Zappulo, Riccardo Scotto, Antonio Riccardo Buonomo, Alberto Enrico Maraolo, Biagio Pinchera, Ivan Gentile. Efficacy and safety of a fixed dose combination tablet of asunaprevir + beclabuvir + daclatasvir for the treatment of Hepatitis C.
Expert opinion on pharmacotherapy.
2020 Feb; 21(3):261-273. doi:
10.1080/14656566.2019.1697674. [PMID: 31914336] - Yuji Teraoka, Takuro Uchida, Michio Imamura, Nobuhiko Hiraga, Mitsutaka Osawa, Hiromi Kan, Yuhei Saito, Masataka Tsuge, Hiromi Abe-Chayama, C Nelson Hayes, Grace Naswa Makokha, Hiroshi Aikata, Daiki Miki, Hidenori Ochi, Yuji Ishida, Chise Tateno, Kazuaki Chayama. Limitations of daclatasvir/asunaprevir plus beclabuvir treatment in cases of NS5A inhibitor treatment failure.
The Journal of general virology.
2018 08; 99(8):1058-1065. doi:
10.1099/jgv.0.001091. [PMID: 29916799] - Hao Jiang, Craig Titsch, Jianing Zeng, Barry Jones, Philip Joyce, Yash Gandhi, Wesley Turley, Richard Burrell, Anne F Aubry, Mark E Arnold. Overcoming interference with the detection of a stable isotopically labeled microtracer in the evaluation of beclabuvir absolute bioavailability using a concomitant microtracer approach.
Journal of pharmaceutical and biomedical analysis.
2017 Sep; 143(?):9-16. doi:
10.1016/j.jpba.2017.04.030. [PMID: 28544885] - Hao Jiang, Hamza Kandoussi, Jianing Zeng, Jian Wang, Roger Demers, Timothy Eley, Bing He, Richard Burrell, John Easter, Pathanjali Kadiyala, Janice Pursley, Laura Cojocaru, Chanda Baker, John Ryan, Anne-Françoise Aubry, Mark E Arnold. Multiplexed LC-MS/MS method for the simultaneous quantitation of three novel hepatitis C antivirals, daclatasvir, asunaprevir, and beclabuvir in human plasma.
Journal of pharmaceutical and biomedical analysis.
2015 Mar; 107(?):409-18. doi:
10.1016/j.jpba.2015.01.027. [PMID: 25676854] - Hao Jiang, Roger Demers, Hamza Kandoussi, Richard Burrell, Timothy Eley, Pathanjali Kadiyala, Laura Cojocaru, Chanda Baker, John Ryan, Anne-Françoise Aubry, Mark E Arnold, Jianing Zeng. Sensitive and accurate liquid chromatography-tandem mass spectrometry methods for quantitative determination of a novel hepatitis C NS5B inhibitor BMS-791325 and its active metabolite in human plasma and urine.
Journal of pharmaceutical and biomedical analysis.
2015 Mar; 107(?):17-23. doi:
10.1016/j.jpba.2014.12.011. [PMID: 25562845] - Julie A Lemm, Mengping Liu, Robert G Gentles, Min Ding, Stacey Voss, Lenore A Pelosi, Ying-Kai Wang, Karen L Rigat, Kathleen W Mosure, John A Bender, Jay O Knipe, Richard Colonno, Nicholas A Meanwell, John F Kadow, Kenneth S Santone, Susan B Roberts, Min Gao. Preclinical characterization of BMS-791325, an allosteric inhibitor of hepatitis C Virus NS5B polymerase.
Antimicrobial agents and chemotherapy.
2014 Jun; 58(6):3485-95. doi:
10.1128/aac.02495-13. [PMID: 24733465] - Karen D Sims, Julie Lemm, Timothy Eley, Menping Liu, Anna Berglind, Diane Sherman, Eric Lawitz, Apinya B Vutikullird, Pablo Tebas, Min Gao, Claudio Pasquinelli, Dennis M Grasela. Randomized, placebo-controlled, single-ascending-dose study of BMS-791325, a hepatitis C virus (HCV) NS5B polymerase inhibitor, in HCV genotype 1 infection.
Antimicrobial agents and chemotherapy.
2014 Jun; 58(6):3496-503. doi:
10.1128/aac.02579-13. [PMID: 24733462]