Atovaquone (BioDeep_00000006353)
Secondary id: BioDeep_00000399126
human metabolite blood metabolite Chemicals and Drugs
代谢物信息卡片
化学式: C22H19ClO3 (366.1023)
中文名称: 阿托伐醌
谱图信息:
最多检出来源 Rattus norvegicus(blood) 1.79%
分子结构信息
SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI: InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2
描述信息
Atovaquone is only found in individuals that have used or taken this drug. It is a hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols. [PubChem]Atovaquone is a hydroxy- 1, 4- naphthoquinone, an analog of ubiquinone, with antipneumocystis activity. The mechanism of action against Pneumocystis carinii has not been fully elucidated. In Plasmodium species, the site of action appears to be the cytochrome bc1 complex (Complex III). Several metabolic enzymes are linked to the mitochondrial electron transport chain via ubiquinone. Inhibition of electron transport by atovaquone will result in indirect inhibition of these enzymes. The ultimate metabolic effects of such blockade may include inhibition of nucleic acid and ATP synthesis. Atovaquone also has been shown to have good in vitro activity against Toxoplasma gondii.
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
D004791 - Enzyme Inhibitors
同义名列表
数据库引用编号
23 个数据库交叉引用编号
- ChEBI: CHEBI:575568
- ChEBI: CHEBI:95346
- KEGG: C06835
- KEGGdrug: D00236
- PubChem: 74989
- HMDB: HMDB0015249
- Metlin: METLIN1152
- DrugBank: DB01117
- ChEMBL: CHEMBL519462
- ChEMBL: CHEMBL222334
- ChEMBL: CHEMBL471792
- Wikipedia: Atovaquone
- MeSH: Atovaquone
- chemspider: 10482034
- CAS: 1329792-63-3
- CAS: 137732-39-9
- CAS: 94015-53-9
- CAS: 95233-18-4
- PMhub: MS000019381
- PubChem: 9053
- PDB-CCD: AOQ
- NIKKAJI: J389.528I
- RefMet: Atovaquone
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)
1 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
- Qingyu Lu, Wenhao Gao, Zhenzhen Chen, Zhihong Liu, Jie Wang, Lingjun Zeng, Xiaomu Hu, Enqin Zheng, Qian Zhang, Hongtao Song. Co-delivery of Paclitaxel/Atovaquone/Quercetin to regulate energy metabolism to reverse multidrug resistance in ovarian cancer by PLGA-PEG nanoparticles.
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