Entrectinib (BioDeep_00000858728)
代谢物信息卡片
化学式: C31H34F2N6O2 (560.2711168000001)
中文名称: 恩曲替尼
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6
InChI: InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
描述信息
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
同义名列表
1 个代谢物同义名
数据库引用编号
6 个数据库交叉引用编号
- ChEBI: CHEBI:195558
- KEGGdrug: D10926
- PubChem: 25141092
- DrugBank: DB11986
- ChEMBL: CHEMBL1983268
- CAS: 1108743-60-7
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
- Matthew S Ernst, John T Lysack, Martin D Hyrcza, Shamir P Chandarana, Desiree Hao. TRK Inhibition with Entrectinib in Metastatic Salivary Secretory Carcinoma (SC): A Case Report.
Current oncology (Toronto, Ont.).
2022 05; 29(6):3933-3939. doi:
10.3390/curroncol29060314. [PMID: 35735423] - Rafal Dziadziuszko, Tiffany Hung, Kun Wang, Voleak Choeurng, Alexander Drilon, Robert C Doebele, Fabrice Barlesi, Charlie Wu, Lucas Dennis, Joel Skoletsky, Ryan Woodhouse, Meijuan Li, Ching-Wei Chang, Brian Simmons, Todd Riehl, Timothy R Wilson. Pre- and post-treatment blood-based genomic landscape of patients with ROS1 or NTRK fusion-positive solid tumours treated with entrectinib.
Molecular oncology.
2022 05; 16(10):2000-2014. doi:
10.1002/1878-0261.13214. [PMID: 35338679] - Christian Rolfo, Alexander Drilon, David Hong, Caroline McCoach, Afshin Dowlati, Jessica J Lin, Alessandro Russo, Alison M Schram, Stephen V Liu, Jorge J Nieva, Timmy Nguyen, Shahrooz Eshaghian, Michael Morse, Scott Gettinger, Mohammad Mobayed, Sarah Goldberg, Emilio Araujo-Mino, Neelima Vidula, Aditya Bardia, Janakiraman Subramanian, Deepa Sashital, Thomas Stinchcombe, Lesli Kiedrowski, Kristin Price, David R Gandara. NTRK1 Fusions identified by non-invasive plasma next-generation sequencing (NGS) across 9 cancer types.
British journal of cancer.
2022 02; 126(3):514-520. doi:
10.1038/s41416-021-01536-1. [PMID: 34480094] - Alejandro Peralta-Garcia, Mariona Torrens-Fontanals, Tomasz Maciej Stepniewski, Judith Grau-Expósito, David Perea, Vikram Ayinampudi, Maria Waldhoer, Mirjam Zimmermann, María J Buzón, Meritxell Genescà, Jana Selent. Entrectinib-A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells.
International journal of molecular sciences.
2021 Dec; 22(24):. doi:
10.3390/ijms222413592. [PMID: 34948390] - Georgina Meneses-Lorente, Darren Bentley, Elena Guerini, Karey Kowalski, Edna Chow-Maneval, Li Yu, Andreas Brink, Nassim Djebli, Francois Mercier, Vincent Buchheit, Alex Phipps. Characterization of the pharmacokinetics of entrectinib and its active M5 metabolite in healthy volunteers and patients with solid tumors.
Investigational new drugs.
2021 06; 39(3):803-811. doi:
10.1007/s10637-020-01047-5. [PMID: 33462752] - Han Hsi Wong, Helen Bentley, Venkata Ramesh Bulusu, Gloria Anyaegbu, James Watkins, Gail Horan, Helen Hatcher. Lorlatinib for the treatment of inflammatory myofibroblastic tumour with TPM4-ALK fusion following failure of entrectinib.
Anti-cancer drugs.
2020 11; 31(10):1106-1110. doi:
10.1097/cad.0000000000000994. [PMID: 32868646] - Qianqian Fan, Jie Ma, Bo Zhang, Qiuyue Li, Fang Liu, Bin Zhao. Assessment of acute kidney injury related to small-molecule protein kinase inhibitors using the FDA adverse event reporting system.
Cancer chemotherapy and pharmacology.
2020 11; 86(5):655-662. doi:
10.1007/s00280-020-04151-8. [PMID: 33001273] - Dimitrios Vagiannis, Zhang Yu, Eva Novotna, Anselm Morell, Jakub Hofman. Entrectinib reverses cytostatic resistance through the inhibition of ABCB1 efflux transporter, but not the CYP3A4 drug-metabolizing enzyme.
Biochemical pharmacology.
2020 08; 178(?):114061. doi:
10.1016/j.bcp.2020.114061. [PMID: 32497550] - Sunil K Joshi, Kristin Qian, William H Bisson, Kevin Watanabe-Smith, Ariane Huang, Daniel Bottomly, Elie Traer, Jeffrey W Tyner, Shannon K McWeeney, Monika A Davare, Brian J Druker, Cristina E Tognon. Discovery and characterization of targetable NTRK point mutations in hematologic neoplasms.
Blood.
2020 06; 135(24):2159-2170. doi:
10.1182/blood.2019003691. [PMID: 32315394] - Holger Fischer, Mohammed Ullah, Cecile C de la Cruz, Thomas Hunsaker, Claudia Senn, Thomas Wirz, Björn Wagner, Dragomir Draganov, Faye Vazvaei, Massimiliano Donzelli, Axel Paehler, Mark Merchant, Li Yu. Entrectinib, a TRK/ROS1 inhibitor with anti-CNS tumor activity: differentiation from other inhibitors in its class due to weak interaction with P-glycoprotein.
Neuro-oncology.
2020 06; 22(6):819-829. doi:
10.1093/neuonc/noaa052. [PMID: 32383735] - Qiong Wang, Ping Fang, Lulu Zheng, Lei Ye. Quantification and pharmacokinetic study of entrectinib in rat plasma using ultra-performance liquid chromatography tandem mass spectrometry.
Biomedical chromatography : BMC.
2019 Apr; 33(4):e4467. doi:
10.1002/bmc.4467. [PMID: 30549079] - Mohamed W Attwa, Hany W Darwish, Hassan A Alhazmi, Adnan A Kadi. Investigation of metabolic degradation of new ALK inhibitor: Entrectinib by LC-MS/MS.
Clinica chimica acta; international journal of clinical chemistry.
2018 Oct; 485(?):298-304. doi:
10.1016/j.cca.2018.07.009. [PMID: 30006284] - Vadim Bernard-Gauthier, Justin J Bailey, Andrew V Mossine, Simon Lindner, Lena Vomacka, Arturo Aliaga, Xia Shao, Carole A Quesada, Phillip Sherman, Anne Mahringer, Alexey Kostikov, Marilyn Grand'Maison, Pedro Rosa-Neto, Jean-Paul Soucy, Alexander Thiel, David R Kaplan, Gert Fricker, Björn Wängler, Peter Bartenstein, Ralf Schirrmacher, Peter J H Scott. A Kinome-Wide Selective Radiolabeled TrkB/C Inhibitor for in Vitro and in Vivo Neuroimaging: Synthesis, Preclinical Evaluation, and First-in-Human.
Journal of medicinal chemistry.
2017 08; 60(16):6897-6910. doi:
10.1021/acs.jmedchem.7b00396. [PMID: 28696690] - G Siravegna, A Sartore-Bianchi, B Mussolin, A Cassingena, A Amatu, L Novara, M Buscarino, G Corti, G Crisafulli, A Bartolini, F Tosi, M Erlander, F Di Nicolantonio, S Siena, A Bardelli. Tracking a CAD-ALK gene rearrangement in urine and blood of a colorectal cancer patient treated with an ALK inhibitor.
Annals of oncology : official journal of the European Society for Medical Oncology.
2017 Jun; 28(6):1302-1308. doi:
10.1093/annonc/mdx095. [PMID: 28368455]