Encorafenib (BioDeep_00000229531)

   

human metabolite


代谢物信息卡片


methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate

化学式: C22H27ClFN7O4S (539.1517704)
中文名称: Encorafenib
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(C)N1C=C(C(=N1)C2=C(C(=CC(=C2)Cl)NS(=O)(=O)C)F)C3=NC(=NC=C3)NCC(C)NC(=O)OC
InChI: InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1

描述信息

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EC - B-raf serine-threonine kinase (braf) inhibitors
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Encorafenib (LGX818) is a highly potent BRAF inhibitor with selective anti-proliferative and apoptotic activity in cells expressing BRAFV600E (EC50=4 nM).

同义名列表

8 个代谢物同义名

methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate; methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-isopropylpyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate; LGX-818ENCORAFENIB; NVP-LGX818-NXA; Encorafenib; NVP-LGX818; LGX 818; LGX818



数据库引用编号

7 个数据库交叉引用编号

分类词条

相关代谢途径

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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)

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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

  • Xin-Man Hu, Yan-Yao Hou, Xin-Ru Teng, Yong Liu, Yu Li, Wei Li, Yan Li, Chun-Zhi Ai. Prediction of cytochrome P450-mediated bioactivation using machine learning models and in vitro validation. Archives of toxicology. 2024 May; 98(5):1457-1467. doi: 10.1007/s00204-024-03701-w. [PMID: 38492097]
  • Paola Mian, Elvera Meussen, Djura Piersma, Nienke A G Lankheet. Relatively mild symptoms after chronic overdose with a double-dose encorafenib: a case report. Anti-cancer drugs. 2021 06; 32(5):589-591. doi: 10.1097/cad.0000000000001052. [PMID: 33587356]
  • Adnan Shami Shah, Xiaofu Cao, Andrew C White, Jeremy M Baskin. PLEKHA4 Promotes Wnt/β-Catenin Signaling-Mediated G1-S Transition and Proliferation in Melanoma. Cancer research. 2021 04; 81(8):2029-2043. doi: 10.1158/0008-5472.can-20-2584. [PMID: 33574086]
  • Francesco Spagnolo. [Long-term efficacy of encorafenib plus binimetinib combined treatment: case report.]. Recenti progressi in medicina. 2021 04; 112(4):49e-52e. doi: 10.1701/3584.35698. [PMID: 33877100]
  • Romain Stammler, Claire Gallois, Julien Taieb, Jean-Paul Duong, Alexandre Karras, Eric Thervet, Hélène Lazareth. Acute renal failure under encorafenib, binimetinib and cetuximab for BRAF V600E-mutated colorectal cancer. European journal of cancer (Oxford, England : 1990). 2021 04; 147(?):60-62. doi: 10.1016/j.ejca.2021.01.024. [PMID: 33618199]
  • L Warburton, T M Meniawy, L Calapre, M Pereira, A McEvoy, M Ziman, E S Gray, M Millward. Stopping targeted therapy for complete responders in advanced BRAF mutant melanoma. Scientific reports. 2020 11; 10(1):18878. doi: 10.1038/s41598-020-75837-5. [PMID: 33139839]
  • Jing Wang, Changpei Gan, Rolf W Sparidans, Els Wagenaar, Stéphanie van Hoppe, Jos H Beijnen, Alfred H Schinkel. P-glycoprotein (MDR1/ABCB1) and Breast Cancer Resistance Protein (BCRP/ABCG2) affect brain accumulation and intestinal disposition of encorafenib in mice. Pharmacological research. 2018 03; 129(?):414-423. doi: 10.1016/j.phrs.2017.11.006. [PMID: 29155017]
  • Mehdi Maanaoui, Camille Saint-Jacques, Viviane Gnemmi, Marie Frimat, Arnaud Lionet, Marc Hazzan, Christian Noël, François Provot. Glomerulonephritis and granulomatous vasculitis in kidney as a complication of the use of BRAF and MEK inhibitors in the treatment of metastatic melanoma: A case report. Medicine. 2017 Jun; 96(25):e7196. doi: 10.1097/md.0000000000007196. [PMID: 28640105]
  • Rolf W Sparidans, Hilde Rosing, Johannes J M Rood, Jan H M Schellens, Jos H Beijnen. Liquid chromatography-tandem mass spectrometric assay for therapeutic drug monitoring of the B-Raf inhibitor encorafenib, the EGFR inhibitors afatinib, erlotinib and gefitinib and the O-desmethyl metabolites of erlotinib and gefitinib in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2016 Oct; 1033-1034(?):390-398. doi: 10.1016/j.jchromb.2016.09.012. [PMID: 27639128]
  • Marian M Deuker, Victoria Marsh Durban, Wayne A Phillips, Martin McMahon. PI3'-kinase inhibition forestalls the onset of MEK1/2 inhibitor resistance in BRAF-mutated melanoma. Cancer discovery. 2015 Feb; 5(2):143-53. doi: 10.1158/2159-8290.cd-14-0856. [PMID: 25472943]
  • S Hinderer, W V Engelhardt. Urea metabolism in the llama. Comparative biochemistry and physiology. A, Comparative physiology. 1975 Dec; 52(4):619-22. doi: 10.1016/s0300-9629(75)80012-0. [PMID: 1185]