Nelfinavir (BioDeep_00000003155)
Secondary id: BioDeep_00000405956
human metabolite blood metabolite Chemicals and Drugs
代谢物信息卡片
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide
化学式: C32H45N3O4S (567.3131)
中文名称: 奈非那韦
谱图信息:
最多检出来源 Homo sapiens(blood) 90.48%
分子结构信息
SMILES: CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O
InChI: InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
描述信息
Nelfinavir is only found in individuals that have used or taken this drug. It is a potent HIV-1 protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. [PubChem]Nelfinavir inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
同义名列表
16 个代谢物同义名
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide; Agouron brand OF nelfinavir mesylate; Roche brand OF nelfinavir mesylate; Monomethane sulfonate, nelfinavir; Sulfonate, nelfinavir monomethane; Nelfinavir monomethane sulfonate; Mesylate, nelfinavir; Nelfinavir mesylate; Nelfinavir; Viracept; AG1343; AG1341; NFV; 1UN; NLF; Nelfinavir
数据库引用编号
21 个数据库交叉引用编号
- ChEBI: CHEBI:7496
- KEGG: C07257
- KEGG: C73027
- KEGGdrug: D08259
- PubChem: 64143
- PubChem: 4451
- HMDB: HMDB0014365
- Metlin: METLIN66612
- DrugBank: DB00220
- ChEMBL: CHEMBL1205
- ChEMBL: CHEMBL584
- Wikipedia: Nelfinavir
- MeSH: Nelfinavir
- chemspider: 57718
- CAS: 159989-64-7
- PMhub: MS000008304
- PubChem: 9466
- PDB-CCD: 1UN
- NIKKAJI: J709.859F
- RefMet: Nelfinavir
- KNApSAcK: 7496
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
- Zhijian Xu, Danrong Shi, Jian-Bao Han, Yun Ling, Xiangrui Jiang, Xiangyun Lu, Chuan Li, Likun Gong, Guangbo Ge, Yani Zhang, Yi Zang, Tian-Zhang Song, Xiao-Li Feng, Ren-Rong Tian, Jia Ji, Miaojin Zhu, Nanping Wu, Chunhui Wu, Zhen Wang, Yechun Xu, Cheng Peng, Min Zheng, Junling Yang, Feifei Du, Junliang Wu, Peipei Wang, Jingshan Shen, Jianliang Zhang, Yong-Tang Zheng, Hangping Yao, Weiliang Zhu. Preventive and therapeutic benefits of nelfinavir in rhesus macaques and human beings infected with SARS-CoV-2.
Signal transduction and targeted therapy.
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Molecules (Basel, Switzerland).
2022 Sep; 27(19):. doi:
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Journal of biomolecular structure & dynamics.
2022 07; 40(11):5053-5059. doi:
10.1080/07391102.2020.1866669. [PMID: 33372574] - Caroline S Foo, Rana Abdelnabi, Suzanne J F Kaptein, Xin Zhang, Sebastiaan Ter Horst, Raf Mols, Leen Delang, Joana Rocha-Pereira, Lotte Coelmont, Pieter Leyssen, Kai Dallmeier, Valentijn Vergote, Elisabeth Heylen, Laura Vangeel, Arnab K Chatterjee, Pieter P Annaert, Patrick F Augustijns, Steven De Jonghe, Dirk Jochmans, Mieke Gouwy, Seppe Cambier, Jennifer Vandooren, Paul Proost, Christine van Laer, Birgit Weynand, Johan Neyts. HIV protease inhibitors Nelfinavir and Lopinavir/Ritonavir markedly improve lung pathology in SARS-CoV-2-infected Syrian hamsters despite lack of an antiviral effect.
Antiviral research.
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IUBMB life.
2022 01; 74(1):93-100. doi:
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Clinical pharmacology and therapeutics.
2021 10; 110(4):1057-1065. doi:
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2020 12; 10(1):20927. doi:
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2020 10; 10(1):16986. doi:
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Viruses.
2020 06; 12(6):. doi:
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International journal of antimicrobial agents.
2020 Jun; 55(6):105964. doi:
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Pharmacotherapy.
2020 05; 40(5):416-437. doi:
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2020 03; 63(5):2131-2138. doi:
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Journal of pharmaceutical and biomedical analysis.
2019 Mar; 166(?):95-104. doi:
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Journal of clinical pharmacology.
2019 03; 59(3):386-393. doi:
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AAPS PharmSciTech.
2018 Nov; 19(8):3584-3598. doi:
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Anticancer research.
2018 Oct; 38(10):5615-5626. doi:
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BJU international.
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2012 Oct; 92(4):795-805. doi:
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Haematologica.
2012 Jul; 97(7):1101-9. doi:
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Viruses.
2012 04; 4(4):488-520. doi:
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Clinical infectious diseases : an official publication of the Infectious Diseases Society of America.
2012 Apr; 54(7):995-1000. doi:
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Drug metabolism and disposition: the biological fate of chemicals.
2012 Mar; 40(3):610-6. doi:
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AIDS research and therapy.
2012 Feb; 9(?):3. doi:
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Molecules (Basel, Switzerland).
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Retrovirology.
2012 Jan; 9(?):4. doi:
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PloS one.
2012; 7(3):e32144. doi:
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PloS one.
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AIDS research and treatment.
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HIV clinical trials.
2012 Jan; 13(1):46-59. doi:
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The Southeast Asian journal of tropical medicine and public health.
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BMC infectious diseases.
2011 Dec; 11(?):341. doi:
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Retrovirology.
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Journal of acquired immune deficiency syndromes (1999).
2011 Dec; 58(4):363-70. doi:
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Journal of medicine and life.
2011 Nov; 4(4):432-9. doi:
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Clinical pharmacokinetics.
2011 Nov; 50(11):689-704. doi:
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Cancer chemotherapy and pharmacology.
2011 Nov; 68(5):1145-54. doi:
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Antimicrobial agents and chemotherapy.
2011 Nov; 55(11):5168-71. doi:
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European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V.
2011 Oct; 79(2):349-56. doi:
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BMC public health.
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AIDS research and human retroviruses.
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Indian journal of sexually transmitted diseases and AIDS.
2011 Jul; 32(2):94-8. doi:
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Drug metabolism and disposition: the biological fate of chemicals.
2011 Jun; 39(6):1070-8. doi:
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European journal of clinical pharmacology.
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PloS one.
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PLoS medicine.
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PloS one.
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Journal of lipid research.
2011 Feb; 52(2):207-20. doi:
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PloS one.
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PloS one.
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The Journal of antimicrobial chemotherapy.
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Core evidence.
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The Journal of pharmacology and experimental therapeutics.
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Analytical and bioanalytical chemistry.
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