Tipranavir (BioDeep_00000614993)
代谢物信息卡片
N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide
化学式: C31H33F3N2O5S (602.2062164)
中文名称: 替拉那韦
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4
InChI: InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
描述信息
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
同义名列表
数据库引用编号
8 个数据库交叉引用编号
- ChEBI: CHEBI:63628
- KEGGdrug: D08605
- PubChem: 54682461
- Metlin: METLIN85444
- DrugBank: DB00932
- ChEMBL: CHEMBL183041
- ChEMBL: CHEMBL222559
- CAS: 174484-41-4
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
- Yenju Chu, Chaolong Qin, Wanshan Feng, Charles Sheriston, Yu Jane Khor, Concepción Medrano-Padial, Birgit E Watson, Teddy Chan, Binhua Ling, Michael J Stocks, Peter M Fischer, Pavel Gershkovich. Oral administration of tipranavir with long-chain triglyceride results in moderate intestinal lymph targeting but no efficient delivery to HIV-1 reservoir in mesenteric lymph nodes.
International journal of pharmaceutics.
2021 Jun; 602(?):120621. doi:
10.1016/j.ijpharm.2021.120621. [PMID: 33892057] - Mohammad M Ghahremanpour, Julian Tirado-Rives, Maya Deshmukh, Joseph A Ippolito, Chun-Hui Zhang, Israel Cabeza de Vaca, Maria-Elena Liosi, Karen S Anderson, William L Jorgensen. Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2.
ACS medicinal chemistry letters.
2020 Dec; 11(12):2526-2533. doi:
10.1021/acsmedchemlett.0c00521. [PMID: 33324471] - Purushothaman Indu, Marimuthu Ragavan Rameshkumar, Narasingam Arunagirinathan, Naif Abdullah Al-Dhabi, Mariadhas Valan Arasu, Savarimuthu Ignacimuthu. Raltegravir, Indinavir, Tipranavir, Dolutegravir, and Etravirine against main protease and RNA-dependent RNA polymerase of SARS-CoV-2: A molecular docking and drug repurposing approach.
Journal of infection and public health.
2020 Dec; 13(12):1856-1861. doi:
10.1016/j.jiph.2020.10.015. [PMID: 33168456] - Yogesh Kumar, Harvijay Singh, Chirag N Patel. In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing.
Journal of infection and public health.
2020 Sep; 13(9):1210-1223. doi:
10.1016/j.jiph.2020.06.016. [PMID: 32561274] - Asres Berhan, Yifru Berhan. Virologic response to tipranavir-ritonavir or darunavir-ritonavir based regimens in antiretroviral therapy experienced HIV-1 patients: a meta-analysis and meta-regression of randomized controlled clinical trials.
PloS one.
2013; 8(4):e60814. doi:
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Scandinavian journal of infectious diseases.
2012 Jan; 44(1):37-43. doi:
10.3109/00365548.2011.598870. [PMID: 21851330] - Lauriane Goldwirt, Joséphine Braun, Nathalie de Castro, Isabelle Charreau, Aurélie Barrail-Tran, Constance Delaugerre, François Raffi, Caroline Lascoux-Combe, Jean-Pierre Aboulker, Anne-Marie Taburet, Jean-Michel Molina. Switch from enfuvirtide to raltegravir lowers plasma concentrations of darunavir and tipranavir: a pharmacokinetic substudy of the EASIER-ANRS 138 trial.
Antimicrobial agents and chemotherapy.
2011 Jul; 55(7):3613-5. doi:
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2011 Jun; 9(4):237-46. doi:
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International journal of STD & AIDS.
2011 May; 22(5):294-5. doi:
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European journal of clinical pharmacology.
2011 Mar; 67(3):277-81. doi:
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2009 Dec; 105(3):234-9. doi:
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Antimicrobial agents and chemotherapy.
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Antimicrobial agents and chemotherapy.
2009 Oct; 53(10):4385-92. doi:
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Journal of pharmaceutical sciences.
2009 May; 98(5):1732-43. doi:
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AIDS (London, England).
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Clinical drug investigation.
2009; 29(11):721-8. doi:
10.2165/11319890-000000000-00000. [PMID: 19813775] - Charles J L la Porte, John P Sabo, Mabrouk Elgadi, D William Cameron. Interaction studies of tipranavir-ritonavir with clarithromycin, fluconazole, and rifabutin in healthy volunteers.
Antimicrobial agents and chemotherapy.
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Clinical chemistry.
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AIDS research and human retroviruses.
2008 Mar; 24(3):389-91. doi:
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2007 Oct; 51(10):3498-504. doi:
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AIDS (London, England).
2007 Sep; 21(14):1977-80. doi:
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