Tucatinib (BioDeep_00000229513)

   

human metabolite


代谢物信息卡片


N6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N4-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazoline-4,6-diamine

化学式: C26H24N8O2 (480.2022)
中文名称: 图卡蒂尼(伊尔比尼替尼,ONT-380)
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5
InChI: InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)

描述信息

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EH - Human epidermal growth factor receptor 2 (her2) tyrosine kinase inhibitors
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163760 - HER2-targeting Agent
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159156 - HER2 Inhibitor
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
D000970 - Antineoplastic Agents

同义名列表

4 个代谢物同义名

N6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N4-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazoline-4,6-diamine; N6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N4-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazoline-4,6-diamine; Irbinitinib; Tucatinib



数据库引用编号

6 个数据库交叉引用编号

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。

亚细胞结构定位 关联基因列表


文献列表

  • Ying Zhang, Ya-Nan Liu, Saili Xie, Xuegu Xu, Ren-Ai Xu. Evaluation of the inhibitory effect of quercetin on the pharmacokinetics of tucatinib in rats by a novel UPLC-MS/MS assay. Pharmaceutical biology. 2022 Dec; 60(1):621-626. doi: 10.1080/13880209.2022.2048862. [PMID: 35289238]
  • Hao Sun, Kristen A Cardinal, Larry Wienkers, Alice Chin, Vineet Kumar, Calvin Neace, Clark Henderson, Christopher J Endres, Ariel Topletz-Erickson, Kelly Regal, Alex Vo, Stephen C Alley, Anthony J Lee. Elimination of tucatinib, a small molecule kinase inhibitor of HER2, is primarily governed by CYP2C8 enantioselective oxidation of gem-dimethyl. Cancer chemotherapy and pharmacology. 2022 06; 89(6):737-750. doi: 10.1007/s00280-022-04429-z. [PMID: 35435471]
  • Ariel R Topletz-Erickson, Anthony J Lee, JoAl G Mayor, Evelyn L Rustia, Layth I Abdulrasool, Amanda L Wise, Ben Dailey, Sharon DeChenne, Luke N Walker, Stephen C Alley, Christopher J Endres. Tucatinib Inhibits Renal Transporters OCT2 and MATE Without Impacting Renal Function in Healthy Subjects. Journal of clinical pharmacology. 2021 04; 61(4):461-471. doi: 10.1002/jcph.1750. [PMID: 32989831]
  • Ali Alsalme, T Pooventhiran, Nabil Al-Zaqri, D Jagadeeswara Rao, Siriki Srinivasa Rao, Renjith Thomas. Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity. Journal of molecular modeling. 2020 Nov; 26(12):341. doi: 10.1007/s00894-020-04603-1. [PMID: 33200284]