Pleconaril (BioDeep_00000182506)

   

human metabolite blood metabolite natural product


代谢物信息卡片


3-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole

化学式: C18H18F3N3O3 (381.13001940000004)
中文名称: 普可那利
谱图信息: 最多检出来源 Homo sapiens(blood) 80%

分子结构信息

SMILES: CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)C(F)(F)F
InChI: InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3

描述信息

J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
C254 - Anti-Infective Agent > C281 - Antiviral Agent

同义名列表

4 个代谢物同义名

3-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole; 3-(3,5-Dimethyl-4((3-(3-methyl-5-isoxazolyl)propyl)phenyl)-5-trifluoromethyl)-1,2,4-oxadiazole; Pleconaril; Picovir



数据库引用编号

8 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)

10 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

  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • A B Sioofy-Khojine, A Honkimaa, H Hyöty. A preclinical assessment to repurpose drugs to target type 1 diabetes-associated type B coxsackieviruses. Diabetic medicine : a journal of the British Diabetic Association. 2020 11; 37(11):1849-1853. doi: 10.1111/dme.14175. [PMID: 31705692]
  • Alexandrina Volobueva, Anna Egorova, Anastasia Galochkina, Sean Ekins, Vladimir Zarubaev, Vadim Makarov. The Evolution of Pleconaril: Modified O-Alkyl Linker Analogs Have Biological Activity towards Coxsackievirus B3 Nancy. Molecules (Basel, Switzerland). 2020 Mar; 25(6):. doi: 10.3390/molecules25061345. [PMID: 32188089]
  • Benedetta Fois, Giulia Bianco, Vijay P Sonar, Simona Distinto, Elias Maccioni, Rita Meleddu, Claudia Melis, Luisa Marras, Raffaello Pompei, Costantino Floris, Pierluigi Caboni, Filippo Cottiglia. Phenylpropenoids from Bupleurum fruticosum as Anti-Human Rhinovirus Species A Selective Capsid Binders. Journal of natural products. 2017 10; 80(10):2799-2806. doi: 10.1021/acs.jnatprod.7b00648. [PMID: 29039946]
  • Emmi Pohjolainen, Sami Malola, Gerrit Groenhof, Hannu Häkkinen. Exploring Strategies for Labeling Viruses with Gold Nanoclusters through Non-equilibrium Molecular Dynamics Simulations. Bioconjugate chemistry. 2017 09; 28(9):2327-2339. doi: 10.1021/acs.bioconjchem.7b00367. [PMID: 28806062]
  • Xiao-Jing Lv, Yong Li, Shuang-Gang Ma, Jing Qu, Yun-Bao Liu, Yu-Huan Li, Dan Zhang, Li Li, Shi-Shan Yu. Antiviral Triterpenes from the Twigs and Leaves of Lyonia ovalifolia. Journal of natural products. 2016 11; 79(11):2824-2837. doi: 10.1021/acs.jnatprod.6b00585. [PMID: 27792321]
  • Mark J Abzug, Marian G Michaels, Ellen Wald, Richard F Jacobs, José R Romero, Pablo J Sánchez, Gregory Wilson, Paul Krogstad, Gregory A Storch, Robert Lawrence, Mark Shelton, April Palmer, Joan Robinson, Penelope Dennehy, Sunil K Sood, Gretchen Cloud, Penelope Jester, Edward P Acosta, Richard Whitley, David Kimberlin. A Randomized, Double-Blind, Placebo-Controlled Trial of Pleconaril for the Treatment of Neonates With Enterovirus Sepsis. Journal of the Pediatric Infectious Diseases Society. 2016 Mar; 5(1):53-62. doi: 10.1093/jpids/piv015. [PMID: 26407253]
  • Yu-Sheng Shi, Yun-Bao Liu, Shuang-Gang Ma, Yong Li, Jing Qu, Li Li, Shao-Peng Yuan, Qi Hou, Yu-Huan Li, Jian-Dong Jiang, Shi-Shan Yu. Bioactive Sesquiterpenes and Lignans from the Fruits of Xanthium sibiricum. Journal of natural products. 2015 Jul; 78(7):1526-35. doi: 10.1021/np500951s. [PMID: 26110443]
  • Angus M MacLeod, Dale R Mitchell, Nicholas J Palmer, Hervé Van de Poël, Katja Conrath, Martin Andrews, Pieter Leyssen, Johan Neyts. Identification of a series of compounds with potent antiviral activity for the treatment of enterovirus infections. ACS medicinal chemistry letters. 2013 Jul; 4(7):585-9. doi: 10.1021/ml400095m. [PMID: 24900715]
  • Anh N Nguyen, Justin T Hoffman, Shirley M Tsunoda, In-Jin Jang, Joseph D Ma. Evaluation of intravenous midazolam limited sampling models to determine area under the concentration time curve during cytochrome P450 3A baseline, inhibition and induction or activation. International journal of clinical pharmacology and therapeutics. 2012 Jul; 50(7):468-75. doi: 10.5414/cp201701. [PMID: 22541751]
  • Minghua Chen, Lishe Gan, Sheng Lin, Xiaoliang Wang, Li Li, Yuhuan Li, Chenggen Zhu, Yanan Wang, Bingya Jiang, Jiandong Jiang, Yongchun Yang, Jiangong Shi. Alkaloids from the root of Isatis indigotica. Journal of natural products. 2012 Jun; 75(6):1167-76. doi: 10.1021/np3002833. [PMID: 22694318]
  • Chia-Wen Chang, Yan-Lii Leu, Jim-Tong Horng. Daphne Genkwa sieb. Et zucc. Water-soluble extracts act on enterovirus 71 by inhibiting viral entry. Viruses. 2012 04; 4(4):539-56. doi: 10.3390/v4040539. [PMID: 22590685]
  • Annick A J M van de Ven, Jan Willem Douma, Carin Rademaker, Anton M van Loon, Annemarie M J Wensing, Jaap-Jan Boelens, Elisabeth A M Sanders, Joris M van Montfrans. Pleconaril-resistant chronic parechovirus-associated enteropathy in agammaglobulinaemia. Antiviral therapy. 2011; 16(4):611-4. doi: 10.3851/imp1792. [PMID: 21685550]
  • J D Ma, E T Nguyen, S M Tsunoda, H E Greenberg, J C Gorski, S R Penzak, L S Lee. Assessment of oral midazolam limited sampling strategies to predict area under the concentration time curve (AUC) during cytochrome P450 (CYP) 3A baseline, inhibition and induction or activation. International journal of clinical pharmacology and therapeutics. 2010 Dec; 48(12):847-53. doi: 10.5414/cpp48847. [PMID: 21084040]
  • Hwa Jung Choi, Jae-Hyoung Song, Chi-Hwan Lim, Seung-Hwa Baek, Dur-Han Kwon. Anti-human rhinovirus activity of raoulic acid from Raoulia australis. Journal of medicinal food. 2010 Apr; 13(2):326-8. doi: 10.1089/jmf.2009.1149. [PMID: 20412019]
  • Nino Khetsuriani, Rita Helfand, Mark Pallansch, Olen Kew, Ashley Fowlkes, M Steven Oberste, Peter Tukei, Joseph Muli, Ernest Makokha, Howard Gary. Limited duration of vaccine poliovirus and other enterovirus excretion among human immunodeficiency virus infected children in Kenya. BMC infectious diseases. 2009 Aug; 9(?):136. doi: 10.1186/1471-2334-9-136. [PMID: 19698184]
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  • Judith M Rollinger, Theodora M Steindl, Daniela Schuster, Johannes Kirchmair, Kathrin Anrain, Ernst P Ellmerer, Thierry Langer, Hermann Stuppner, Peter Wutzler, Michaela Schmidtke. Structure-based virtual screening for the discovery of natural inhibitors for human rhinovirus coat protein. Journal of medicinal chemistry. 2008 Feb; 51(4):842-51. doi: 10.1021/jm701494b. [PMID: 18247552]
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  • Joseph D Ma, Anne N Nafziger, Gerry Rhodes, Siyu Liu, Joseph S Bertino. Duration of pleconaril effect on cytochrome P450 3A activity in healthy adults using the oral biomarker midazolam. Drug metabolism and disposition: the biological fate of chemicals. 2006 May; 34(5):783-5. doi: 10.1124/dmd.105.007831. [PMID: 16467135]
  • Alison C Rentz, Jane E Libbey, Robert S Fujinami, Frank G Whitby, Carrie L Byington. Investigation of treatment failure in neonatal echovirus 7 infection. The Pediatric infectious disease journal. 2006 Mar; 25(3):259-62. doi: 10.1097/01.inf.0000202071.38484.93. [PMID: 16511392]
  • Joseph D Ma, Anne N Nafziger, Gerry Rhodes, Siyu Liu, Anne M Gartung, Joseph S Bertino. The effect of oral pleconaril on hepatic cytochrome P450 3A activity in healthy adults using intravenous midazolam as a probe. Journal of clinical pharmacology. 2006 Jan; 46(1):103-8. doi: 10.1177/0091270005283286. [PMID: 16397289]
  • Bruce Barrett, Roger Brown, Marlon Mundt, Leota Dye, Jennifer Alt, Nasia Safdar, Rob Maberry. Using benefit harm tradeoffs to estimate sufficiently important difference: the case of the common cold. Medical decision making : an international journal of the Society for Medical Decision Making. 2005 Jan; 25(1):47-55. doi: 10.1177/0272989x04273147. [PMID: 15673581]
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  • Penelope A Bryant, David Tingay, Peter A Dargaville, Mike Starr, Nigel Curtis. Neonatal coxsackie B virus infection-a treatable disease?. European journal of pediatrics. 2004 Apr; 163(4-5):223-8. doi: 10.1007/s00431-004-1408-y. [PMID: 14986123]
  • Mark J Abzug. Presentation, diagnosis, and management of enterovirus infections in neonates. Paediatric drugs. 2004; 6(1):1-10. doi: 10.2165/00148581-200406010-00001. [PMID: 14969566]
  • Peter S Dragovich, Thomas J Prins, Ru Zhou, Theodore O Johnson, Ye Hua, Hiep T Luu, Sylvie K Sakata, Edward L Brown, Fausto C Maldonado, Tove Tuntland, Caroline A Lee, Shella A Fuhrman, Leora S Zalman, Amy K Patick, David A Matthews, Ellen Y Wu, Ming Guo, Bennett C Borer, Naresh K Nayyar, Terence Moran, Lijian Chen, Paul A Rejto, Peter W Rose, Mark C Guzman, Elena Z Dovalsantos, Steven Lee, Kevin McGee, Michael Mohajeri, Andreas Liese, Junhua Tao, Maha B Kosa, Bo Liu, Minerva R Batugo, Jean-Paul R Gleeson, Zhen Ping Wu, Jia Liu, James W Meador, Rose Ann Ferre. Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. Journal of medicinal chemistry. 2003 Oct; 46(21):4572-85. doi: 10.1021/jm030166l. [PMID: 14521419]
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  • Frederick G Hayden, Darrell T Herrington, Teresa L Coats, Kenneth Kim, Ellen C Cooper, Stephen A Villano, Siyu Liu, Spencer Hudson, Daniel C Pevear, Marc Collett, Mark McKinlay. Efficacy and safety of oral pleconaril for treatment of colds due to picornaviruses in adults: results of 2 double-blind, randomized, placebo-controlled trials. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America. 2003 Jun; 36(12):1523-32. doi: 10.1086/375069. [PMID: 12802751]
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  • Mark J Abzug, Gretchen Cloud, John Bradley, Pablo J Sánchez, José Romero, Dwight Powell, Martha Lepow, Chitra Mani, Edmund V Capparelli, Sharon Blount, Fred Lakeman, Richard J Whitley, David W Kimberlin. Double blind placebo-controlled trial of pleconaril in infants with enterovirus meningitis. The Pediatric infectious disease journal. 2003 Apr; 22(4):335-41. doi: 10.1097/01.inf.0000059765.92623.70. [PMID: 12690273]
  • R Starlin, N Reed, B Leeman, J Black, E Trulock, L M Mundy. Acute flaccid paralysis syndrome associated with echovirus 19, managed with pleconaril and intravenous immunoglobulin. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America. 2001 Sep; 33(5):730-2. doi: 10.1086/322624. [PMID: 11477532]
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