(2R)-2-[[(1R,3S,4S)-3-[[4-(5-Benzyl-2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid (BioDeep_00000852605)
代谢物信息卡片
化学式: C35H47FN4O2 (574.3682854)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCN1C(=CC(=N1)CC2=CC=CC=C2)C3CCN(CC3)CC4CC(CC4C5=CC(=CC=C5)F)N(C)C(C(C)C)C(=O)O
InChI: InChI=1S/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)/t28-,31+,32-,34-/m1/s1
描述信息
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents
D065100 - CCR5 Receptor Antagonists
同义名列表
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
- R Karl Malcolm, Deborah Lowry, Peter Boyd, Leslie Geer, Ronald S Veazey, Laurie Goldman, P J Klasse, Robin J Shattock, John P Moore. Pharmacokinetics of a CCR5 inhibitor in rhesus macaques following vaginal, rectal and oral application.
The Journal of antimicrobial chemotherapy.
2014 May; 69(5):1325-9. doi:
10.1093/jac/dkt506. [PMID: 24381072] - R Karl Malcolm, Ronald S Veazey, Leslie Geer, Deborah Lowry, Susan M Fetherston, Diarmaid J Murphy, Peter Boyd, Ian Major, Robin J Shattock, Per Johan Klasse, Lara A Doyle, Kelsi K Rasmussen, Laurie Goldman, Thomas J Ketas, John P Moore. Sustained release of the CCR5 inhibitors CMPD167 and maraviroc from vaginal rings in rhesus macaques.
Antimicrobial agents and chemotherapy.
2012 May; 56(5):2251-8. doi:
10.1128/aac.05810-11. [PMID: 22330914] - Carsten Schröder, Richard N Pierson, Bao-Ngoc H Nguyen, Douglas W Kawka, Laurence B Peterson, Guosheng Wu, Tianshu Zhang, Martin S Springer, Sal J Siciliano, Susan Iliff, Julia M Ayala, Min Lu, John S Mudgett, Kathy Lyons, Sander G Mills, Geraldine G Miller, Irwin I Singer, Agnes M Azimzadeh, Julie A DeMartino. CCR5 blockade modulates inflammation and alloimmunity in primates.
Journal of immunology (Baltimore, Md. : 1950).
2007 Aug; 179(4):2289-99. doi:
10.4049/jimmunol.179.4.2289. [PMID: 17675490] - Ronald S Veazey, Martin S Springer, Preston A Marx, Jason Dufour, Per Johan Klasse, John P Moore. Protection of macaques from vaginal SHIV challenge by an orally delivered CCR5 inhibitor.
Nature medicine.
2005 Dec; 11(12):1293-4. doi:
10.1038/nm1321. [PMID: 16273102] - Steven M Wolinsky, Ronald S Veazey, Kevin J Kunstman, Per Johan Klasse, Jason Dufour, Andre J Marozsan, Martin S Springer, John P Moore. Effect of a CCR5 inhibitor on viral loads in macaques dual-infected with R5 and X4 primate immunodeficiency viruses.
Virology.
2004 Oct; 328(1):19-29. doi:
10.1016/j.virol.2004.07.021. [PMID: 15380354] - Ronald S Veazey, Per Johan Klasse, Thomas J Ketas, Jacqueline D Reeves, Michael Piatak, Kevin Kunstman, Shawn E Kuhmann, Preston A Marx, Jeffrey D Lifson, Jason Dufour, Megan Mefford, Ivona Pandrea, Steven M Wolinsky, Robert W Doms, Julie A DeMartino, Salvatore J Siciliano, Kathy Lyons, Martin S Springer, John P Moore. Use of a small molecule CCR5 inhibitor in macaques to treat simian immunodeficiency virus infection or prevent simian-human immunodeficiency virus infection.
The Journal of experimental medicine.
2003 Nov; 198(10):1551-62. doi:
10.1084/jem.20031266. [PMID: 14623909] - Sanjeev Kumar, Gloria Y Kwei, Grace K Poon, Susan A Iliff, Yanfeng Wang, Qing Chen, Ronald B Franklin, Varsha Didolkar, Regina W Wang, Masayo Yamazaki, Shuet-Hing Lee Chiu, Jiunn H Lin, Paul G Pearson, Thomas A Baillie. Pharmacokinetics and interactions of a novel antagonist of chemokine receptor 5 (CCR5) with ritonavir in rats and monkeys: role of CYP3A and P-glycoprotein.
The Journal of pharmacology and experimental therapeutics.
2003 Mar; 304(3):1161-71. doi:
10.1124/jpet.102.045096. [PMID: 12604693]