Rupintrivir (BioDeep_00000763389)
代谢物信息卡片
化学式: C31H39FN4O7 (598.2802635999999)
中文名称: 芦平曲韦
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC2=CC=C(C=C2)F)CC(=O)C(C(C)C)NC(=O)C3=NOC(=C3)C
InChI: InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1
描述信息
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
C254 - Anti-Infective Agent > C281 - Antiviral Agent
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
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
- KEGGdrug: D05776
- PubChem: 6440352
- DrugBank: DB05102
- ChEMBL: CHEMBL20210
- CAS: 223537-30-2
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
- Anh-Tien Ton, Francesco Gentile, Michael Hsing, Fuqiang Ban, Artem Cherkasov. Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds.
Molecular informatics.
2020 08; 39(8):e2000028. doi:
10.1002/minf.202000028. [PMID: 32162456] - Jungmoo Huh, Jae Hyoung Song, Seong Ryeol Kim, Hyo Moon Cho, Hyun-Jeong Ko, Heejung Yang, Sang Hyun Sung. Lignan Dimers from Forsythia viridissima Roots and Their Antiviral Effects.
Journal of natural products.
2019 02; 82(2):232-238. doi:
10.1021/acs.jnatprod.8b00590. [PMID: 30676026] - Yuying Ma, Chengyou Shang, Peng Yang, Linfeng Li, Yangyang Zhai, Zheng Yin, Binghe Wang, Luqing Shang. 4-Iminooxazolidin-2-one as a Bioisostere of the Cyanohydrin Moiety: Inhibitors of Enterovirus 71 3C Protease.
Journal of medicinal chemistry.
2018 11; 61(22):10333-10339. doi:
10.1021/acs.jmedchem.8b01335. [PMID: 30365311] - Peng Li, Bailing Yang, Fei Hao, Ping Wang, Haiying He, Lei Huang, Xuan Zhang, Shengbin Zhang, Xuanjia Peng, Ke Yin, Jiao Hu, Xinsheng Chen, Zhengxian Gu, Li Wang, Liang Shen, Guoping Hu, Ning Li, Jian Li, Shuhui Chen, Wei Xiao, Zhenzhong Wang, Qingming Guo, Xiujuan Chang, Lanjun Zhang, Qixu Cai, Tianwei Lin. Design, synthesis, and biological evaluation of anti-EV71 agents.
Bioorganic & medicinal chemistry letters.
2016 07; 26(14):3346-3350. doi:
10.1016/j.bmcl.2016.05.036. [PMID: 27234148] - Frederick G Hayden, Ronald B Turner, Jack M Gwaltney, Kathy Chi-Burris, Merril Gersten, Poe Hsyu, Amy K Patick, George J Smith, Leora S Zalman. Phase II, randomized, double-blind, placebo-controlled studies of ruprintrivir nasal spray 2-percent suspension for prevention and treatment of experimentally induced rhinovirus colds in healthy volunteers.
Antimicrobial agents and chemotherapy.
2003 Dec; 47(12):3907-16. doi:
10.1128/aac.47.12.3907-3916.2003. [PMID: 14638501] - Poe-Hirr Hsyu, Yazdi K Pithavala, Merril Gersten, Carol A Penning, Bradley M Kerr. Pharmacokinetics and safety of an antirhinoviral agent, ruprintrivir, in healthy volunteers.
Antimicrobial agents and chemotherapy.
2002 Feb; 46(2):392-7. doi:
10.1128/aac.46.2.392-397.2002. [PMID: 11796347] - R B Turner. The treatment of rhinovirus infections: progress and potential.
Antiviral research.
2001 Jan; 49(1):1-14. doi:
10.1016/s0166-3542(00)00135-2. [PMID: 11166856]