PNU-120596 (BioDeep_00000780425)
代谢物信息卡片
化学式: C13H14ClN3O4 (311.0672794)
中文名称: PNU-120596
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2OC)OC)Cl
InChI: InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
描述信息
PNU-120596 (NSC 216666) is a potent and selective α7 nAChR positive allosteric modulator (PMA) with an EC50 of 216 nM. PNU-120596 is inactive against α4β2, α3β4, and α9α10 nAChRs. PNU-120596 has the potential for psychiatric and neurological disorders research[1].
同义名列表
数据库引用编号
5 个数据库交叉引用编号
- ChEBI: CHEBI:93263
- PubChem: 311434
- ChEMBL: CHEMBL257591
- CAS: 501925-31-1
- medchemexpress: HY-12152
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
- Yuxuan Zhuang, Colleen M Noviello, Ryan E Hibbs, Rebecca J Howard, Erik Lindahl. Differential interactions of resting, activated, and desensitized states of the α7 nicotinic acetylcholine receptor with lipidic modulators.
Proceedings of the National Academy of Sciences of the United States of America.
2022 10; 119(43):e2208081119. doi:
10.1073/pnas.2208081119. [PMID: 36251999] - Marta M Wells, Tommy S Tillman, David D Mowrey, Tianmo Sun, Yan Xu, Pei Tang. Ensemble-based virtual screening for cannabinoid-like potentiators of the human glycine receptor α1 for the treatment of pain.
Journal of medicinal chemistry.
2015 Apr; 58(7):2958-2966. doi:
10.1021/jm501873p. [PMID: 25790278] - Dustin K Williams, Can Peng, Matthew R Kimbrell, Roger L Papke. Intrinsically low open probability of α7 nicotinic acetylcholine receptors can be overcome by positive allosteric modulation and serum factors leading to the generation of excitotoxic currents at physiological temperatures.
Molecular pharmacology.
2012 Oct; 82(4):746-59. doi:
10.1124/mol.112.080317. [PMID: 22828799] - Hui Li, Zong-Ze Zhang, Jia Zhan, Xiang-Hu He, Xue-Min Song, Yan-Lin Wang. Protective effect of PNU-120596, a selective alpha7 nicotinic acetylcholine receptor-positive allosteric modulator, on myocardial ischemia-reperfusion injury in rats.
Journal of cardiovascular pharmacology.
2012 Jun; 59(6):507-13. doi:
10.1097/fjc.0b013e31824c86c3. [PMID: 22343370] - John Malysz, David J Anderson, Jens H Grønlien, Jianguo Ji, William H Bunnelle, Monika Håkerud, Kirten Thorin-Hagene, Hilde Ween, Rosalind Helfrich, Min Hu, Earl Gubbins, Sujatha Gopalakrishnan, Pamela S Puttfarcken, Clark A Briggs, Jinhe Li, Michael D Meyer, Tino Dyhring, Philip K Ahring, Elsebet Ø Nielsen, Dan Peters, Daniel B Timmermann, Murali Gopalakrishnan. In vitro pharmacological characterization of a novel selective alpha7 neuronal nicotinic acetylcholine receptor agonist ABT-107.
The Journal of pharmacology and experimental therapeutics.
2010 Sep; 334(3):863-74. doi:
10.1124/jpet.110.167072. [PMID: 20504915] - Renza Roncarati, Tamara Seredenina, Brian Jow, Flora Jow, Silvia Papini, Angela Kramer, Hendrick Bothmann, John Dunlop, Georg C Terstappen. Functional properties of alpha7 nicotinic acetylcholine receptors co-expressed with RIC-3 in a stable recombinant CHO-K1 cell line.
Assay and drug development technologies.
2008 Apr; 6(2):181-93. doi:
10.1089/adt.2007.120. [PMID: 18471073] - Jens Halvard Grønlien, Monika Håkerud, Hilde Ween, Kirsten Thorin-Hagene, Clark A Briggs, Murali Gopalakrishnan, John Malysz. Distinct profiles of alpha7 nAChR positive allosteric modulation revealed by structurally diverse chemotypes.
Molecular pharmacology.
2007 Sep; 72(3):715-24. doi:
10.1124/mol.107.035410. [PMID: 17565004]