(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid (BioDeep_00000837957)
代谢物信息卡片
化学式: C24H22ClN3O2 (419.14004620000003)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1CCC(C1)C2C3CCC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=C4)C(=O)O
InChI: InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1
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代谢反应
0 个相关的代谢反应过程信息。
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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
- Souradeep Basu, Tiffany Mak, Rachel Ulferts, Mary Wu, Tom Deegan, Ryo Fujisawa, Kang Wei Tan, Chew Theng Lim, Clovis Basier, Berta Canal, Joseph F Curran, Lucy S Drury, Allison W McClure, Emma L Roberts, Florian Weissmann, Theresa U Zeisner, Rupert Beale, Victoria H Cowling, Michael Howell, Karim Labib, John F X Diffley. Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of Nsp14 RNA cap methyltransferase.
The Biochemical journal.
2021 07; 478(13):2481-2497. doi:
10.1042/bcj20210219. [PMID: 34198328] - Agustin Casimiro-Garcia, David W Piotrowski, Catherine Ambler, Graciela B Arhancet, Mary Ellen Banker, Tereece Banks, Carine M Boustany-Kari, Cuiman Cai, Xiangyang Chen, Rena Eudy, David Hepworth, Catherine A Hulford, Sandra M Jennings, Paula M Loria, Marvin J Meyers, Donna N Petersen, Neil K Raheja, Matthew Sammons, Li She, Kun Song, Derek Vrieze, Liuqing Wei. Identification of (R)-6-(1-(4-cyano-3-methylphenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)-2-methoxynicotinic acid, a highly potent and selective nonsteroidal mineralocorticoid receptor antagonist.
Journal of medicinal chemistry.
2014 May; 57(10):4273-88. doi:
10.1021/jm500206r. [PMID: 24738581] - Stephen Orena, Tristan S Maurer, Li She, Rena Eudy, Vincent Bernardo, Darla Dash, Paula Loria, Mary E Banker, Meera Tugnait, Carlin V Okerberg, Jessie Qian, Carine M Boustany-Kari. PF-03882845, a non-steroidal mineralocorticoid receptor antagonist, prevents renal injury with reduced risk of hyperkalemia in an animal model of nephropathy.
Frontiers in pharmacology.
2013; 4(?):115. doi:
10.3389/fphar.2013.00115. [PMID: 24133446] - Marvin J Meyers, Graciela B Arhancet, Susan L Hockerman, Xiangyang Chen, Scott A Long, Matthew W Mahoney, Joseph R Rico, Danny J Garland, James R Blinn, Joe T Collins, Shengtian Yang, Horng-Chih Huang, Kevin F McGee, Jay M Wendling, Jessica D Dietz, Maria A Payne, Bruce L Homer, Marcia I Heron, David B Reitz, Xiao Hu. Discovery of (3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid (PF-3882845), an orally efficacious mineralocorticoid receptor (MR) antagonist for hypertension and nephropathy.
Journal of medicinal chemistry.
2010 Aug; 53(16):5979-6002. doi:
10.1021/jm100505n. [PMID: 20672822]