Cipargamin (BioDeep_00000838018)
代谢物信息卡片
化学式: C19H14Cl2FN3O (389.0498)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC1CC2=C(C3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl
InChI: InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
描述信息
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
同义名列表
1 个代谢物同义名
数据库引用编号
5 个数据库交叉引用编号
- PubChem: 44469321
- DrugBank: DB12306
- ChEMBL: CHEMBL1082723
- CAS: 1193314-23-6
- CAS: 1252008-89-1
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。
| 亚细胞结构定位 | 关联基因列表 |
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文献列表
- Shivendra G Tewari, Rubayet Elahi, Bobby Kwan, Krithika Rajaram, Suyash Bhatnagar, Jaques Reifman, Sean T Prigge, Akhil B Vaidya, Anders Wallqvist. Metabolic responses in blood-stage malaria parasites associated with increased and decreased sensitivity to PfATP4 inhibitors.
Malaria journal.
2023 Feb; 22(1):56. doi:
10.1186/s12936-023-04481-x. [PMID: 36788578] - James S McCarthy, Azrin N Abd-Rahman, Katharine A Collins, Louise Marquart, Paul Griffin, Anne Kümmel, Aline Fuchs, Cornelis Winnips, Vishal Mishra, Katalin Csermak-Renner, J Prakash Jain, Preetam Gandhi. Defining the Antimalarial Activity of Cipargamin in Healthy Volunteers Experimentally Infected with Blood-Stage Plasmodium falciparum.
Antimicrobial agents and chemotherapy.
2021 01; 65(2):. doi:
10.1128/aac.01423-20. [PMID: 33199389] - Adelaide S M Dennis, Adele M Lehane, Melanie C Ridgway, John P Holleran, Kiaran Kirk. Cell Swelling Induced by the Antimalarial KAE609 (Cipargamin) and Other PfATP4-Associated Antimalarials.
Antimicrobial agents and chemotherapy.
2018 06; 62(6):. doi:
10.1128/aac.00087-18. [PMID: 29555632] - Gregory M Goldgof, Jacob D Durrant, Sabine Ottilie, Edgar Vigil, Kenneth E Allen, Felicia Gunawan, Maxim Kostylev, Kiersten A Henderson, Jennifer Yang, Jake Schenken, Gregory M LaMonte, Micah J Manary, Ayako Murao, Marie Nachon, Rebecca Stanhope, Maximo Prescott, Case W McNamara, Carolyn W Slayman, Rommie E Amaro, Yo Suzuki, Elizabeth A Winzeler. Comparative chemical genomics reveal that the spiroindolone antimalarial KAE609 (Cipargamin) is a P-type ATPase inhibitor.
Scientific reports.
2016 06; 6(?):27806. doi:
10.1038/srep27806. [PMID: 27291296] - Su-Er W Huskey, Chun-qi Zhu, Andreas Fredenhagen, Jürgen Kühnöl, Alexandre Luneau, Zhigang Jian, Ziping Yang, Zhuang Miao, Fan Yang, Jay P Jain, Gangadhar Sunkara, James B Mangold, Daniel S Stein. KAE609 (Cipargamin), a New Spiroindolone Agent for the Treatment of Malaria: Evaluation of the Absorption, Distribution, Metabolism, and Excretion of a Single Oral 300-mg Dose of [14C]KAE609 in Healthy Male Subjects.
Drug metabolism and disposition: the biological fate of chemicals.
2016 May; 44(5):672-82. doi:
10.1124/dmd.115.069187. [PMID: 26921387] - Su-Er W Huskey, Chun-qi Zhu, Melissa M Lin, Ry R Forseth, Helen Gu, Oliver Simon, Fabian K Eggimann, Matthias Kittelmann, Alexandre Luneau, Alexandra Vargas, Hongmei Li, Lai Wang, Heidi J Einolf, Jin Zhang, Sarah Favara, Handan He, James B Mangold. Identification of Three Novel Ring Expansion Metabolites of KAE609, a New Spiroindolone Agent for the Treatment of Malaria, in Rats, Dogs, and Humans.
Drug metabolism and disposition: the biological fate of chemicals.
2016 May; 44(5):653-64. doi:
10.1124/dmd.115.069112. [PMID: 26921386] - Helen Turner. Spiroindolone NITD609 is a novel antimalarial drug that targets the P-type ATPase PfATP4.
Future medicinal chemistry.
2016; 8(2):227-38. doi:
10.4155/fmc.15.177. [PMID: 26824174] - F Joel Leong, Ruobing Li, Jay Prakash Jain, Gilbert Lefèvre, Baldur Magnusson, Thierry T Diagana, Peter Pertel. A first-in-human randomized, double-blind, placebo-controlled, single- and multiple-ascending oral dose study of novel antimalarial Spiroindolone KAE609 (Cipargamin) to assess its safety, tolerability, and pharmacokinetics in healthy adult volunteers.
Antimicrobial agents and chemotherapy.
2014 Oct; 58(10):6209-14. doi:
10.1128/aac.03393-14. [PMID: 25114127] - Natalie J Spillman, Richard J W Allen, Case W McNamara, Bryan K S Yeung, Elizabeth A Winzeler, Thierry T Diagana, Kiaran Kirk. Na(+) regulation in the malaria parasite Plasmodium falciparum involves the cation ATPase PfATP4 and is a target of the spiroindolone antimalarials.
Cell host & microbe.
2013 Feb; 13(2):227-37. doi:
10.1016/j.chom.2012.12.006. [PMID: 23414762]
