carmofur (BioDeep_00000009435)
Secondary id: BioDeep_00000177049
代谢物信息卡片
1-Hexylcarbamoyl-5-fluorouracil
化学式: C11H16FN3O3 (257.1176)
中文名称: 氟脲己胺
谱图信息:
最多检出来源 Homo sapiens(blood) 45%
分子结构信息
SMILES: CCCCCCN=C(O)n1cc(F)c(O)nc1=O
InChI: InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
描述信息
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite
D000970 - Antineoplastic Agents
Same as: D01784
Carmofur (HCFU) is a rat recombinant acid ceramidase inhibitor with an IC50 of 29 nM. Carmofur is also a protease inhibitor of SARS-CoV-2 main protease (Mpro), fatty acid amide hydrolase (FAAH) and N-acylethanolamine acid amidase (NAAA). Carmofur has anti-cancer, anti-inflammatory and anti-virus activities, and can be used for the study of COVID-19 and acute lung injury (ALI)[1][2][3].
同义名列表
4 个代谢物同义名
数据库引用编号
12 个数据库交叉引用编号
- ChEBI: CHEBI:31360
- KEGG: C75879
- KEGG: C13252
- KEGGdrug: D01784
- PubChem: 2577
- Metlin: METLIN43550
- DrugBank: DB09010
- ChEMBL: CHEMBL460499
- CAS: 61422-45-5
- PMhub: MS000023218
- PubChem: 585996
- medchemexpress: HY-B0182
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
- Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
Cell reports.
2021 04; 35(4):109040. doi:
10.1016/j.celrep.2021.109040. [PMID: 33910017] - Carmen Gil, Tiziana Ginex, Inés Maestro, Vanesa Nozal, Lucía Barrado-Gil, Miguel Ángel Cuesta-Geijo, Jesús Urquiza, David Ramírez, Covadonga Alonso, Nuria E Campillo, Ana Martinez. COVID-19: Drug Targets and Potential Treatments.
Journal of medicinal chemistry.
2020 11; 63(21):12359-12386. doi:
10.1021/acs.jmedchem.0c00606. [PMID: 32511912] - Zhenming Jin, Yao Zhao, Yuan Sun, Bing Zhang, Haofeng Wang, Yan Wu, Yan Zhu, Chen Zhu, Tianyu Hu, Xiaoyu Du, Yinkai Duan, Jing Yu, Xiaobao Yang, Xiuna Yang, Kailin Yang, Xiang Liu, Luke W Guddat, Gengfu Xiao, Leike Zhang, Haitao Yang, Zihe Rao. Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nature structural & molecular biology.
2020 06; 27(6):529-532. doi:
10.1038/s41594-020-0440-6. [PMID: 32382072] - Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology.
2019 11; 96(5):629-640. doi:
10.1124/mol.119.115964. [PMID: 31515284] - Jose Antonio Ortega, Jose M Arencibia, Giuseppina La Sala, Marco Borgogno, Inga Bauer, Luca Bono, Clarissa Braccia, Andrea Armirotti, Stefania Girotto, Anand Ganesan, Marco De Vivo. Pharmacophore Identification and Scaffold Exploration to Discover Novel, Potent, and Chemically Stable Inhibitors of Acid Ceramidase in Melanoma Cells.
Journal of medicinal chemistry.
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European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.
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Scientific reports.
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Indian journal of experimental biology.
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2004 Oct; 31(10):1517-24. doi:
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Osaka city medical journal.
2003 Dec; 49(2):77-83. doi:
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Biological & pharmaceutical bulletin.
2001 Nov; 24(11):1329-31. doi:
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Gan to kagaku ryoho. Cancer & chemotherapy.
2000 Jun; 27(6):915-9. doi:
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Gan to kagaku ryoho. Cancer & chemotherapy.
1999 Feb; 26(3):357-9. doi:
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Anticancer research.
1996 Sep; 16(5A):2729-33. doi:
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Gan to kagaku ryoho. Cancer & chemotherapy.
1995 Apr; 22(5):659-64. doi:
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1992 Sep; 19(11):1831-6. doi:
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Japanese journal of cancer research : Gann.
1991 Apr; 82(4):476-82. doi:
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Nihon Gan Chiryo Gakkai shi.
1990 Mar; 25(3):640-7. doi:
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Gan to kagaku ryoho. Cancer & chemotherapy.
1989 Sep; 16(9):3243-50. doi:
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European journal of cancer & clinical oncology.
1989 Aug; 25(8):1191-5. doi:
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1989 Apr; 35(4):637-41. doi:
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Gan to kagaku ryoho. Cancer & chemotherapy.
1989 Feb; 16(2):269-72. doi:
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Gan to kagaku ryoho. Cancer & chemotherapy.
1988 Aug; 15(8 Pt 2):2568-72. doi:
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Gan no rinsho. Japan journal of cancer clinics.
1988 May; 34(6):744-8. doi:
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Oncology.
1988; 45(3):144-7. doi:
10.1159/000226551. [PMID: 3130595] - Y Maehara, H Anai, H Kusumoto, T Kusumoto, K Sugimachi. Colorectal carcinoma in vitro is more sensitive to 1-hexylcarbamoyl-5-fluorouracil compared with six other antitumor drugs: carboquone, Adriamycin, mitomycin C, aclacinomycin A, cisplatin, 5-fluorouracil.
Diseases of the colon and rectum.
1988 Jan; 31(1):62-7. doi:
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1987 Oct; 14(10):2956-9. doi:
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Hinyokika kiyo. Acta urologica Japonica.
1987 Feb; 33(2):295-303. doi:
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1986 Nov; 32(14):1841-8. doi:
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1986 Mar; 13(3 Pt 1):549-55. doi:
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1985 Jun; 12(6):1318-22. doi:
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1985 Apr; 12(4):867-74. doi:
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1984 Dec; 11(12 Pt 1):2579-84. doi:
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Acta neuropathologica.
1984; 63(4):334-43. doi:
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Nihon Sanka Fujinka Gakkai zasshi.
1983 Dec; 35(12):2421-6. doi:
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Gan to kagaku ryoho. Cancer & chemotherapy.
1982 Feb; 9(2):293-300. doi:
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1981 Sep; 225(1):91-7. doi:
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1981 Jul; 4(7):490-6. doi:
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1981 Feb; 66(2):345-9. doi:
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1980 Nov; 10(11):847-54. doi:
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