Enasidenib (BioDeep_00000178691)
human metabolite blood metabolite
代谢物信息卡片
化学式: C19H17F6N7O (473.1398704)
中文名称: 恩西地平
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O
InChI: InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)
描述信息
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor > C168619 - IDH2 inhibitor
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Enasidenib is an oral, potent, reversible, selective inhibitor of the IDH2 mutant enzymes, with IC50s of 100 and 400 nM against IDH2R140Q and IDH2R172K, respectively.
同义名列表
数据库引用编号
10 个数据库交叉引用编号
- ChEBI: CHEBI:145374
- PubChem: 89683805
- HMDB: HMDB0251786
- DrugBank: DB13874
- ChEMBL: CHEMBL3989908
- Wikipedia: Enasidenib
- chemspider: 38772329
- CAS: 1446502-11-9
- CAS: 1802003-09-3
- medchemexpress: HY-18690
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)
COVID-19 Disease Map(0)
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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。
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文献列表
- Birgit Geoerger, Manuel Schiff, Virginie Penard-Lacronique, Niklas Darin, Selim-Maria Saad, Clarisse Duchon, Antonin Lamazière, Aurore Desmons, Clément Pontoizeau, Pablo Berlanga, Stéphane Ducassou, Katharine Yen, Michael Su, David Schenkein, Chris Ottolenghi, Stéphane De Botton. Enasidenib treatment in two individuals with D-2-hydroxyglutaric aciduria carrying a germline IDH2 mutation.
Nature medicine.
2023 May; ?(?):. doi:
10.1038/s41591-023-02382-9. [PMID: 37248298] - Poornimaa Murali, Ramanathan Karuppasamy. Exploration of natural product database for the identification of potent inhibitor against IDH2 mutational variants for glioma therapy.
Journal of molecular modeling.
2022 Dec; 29(1):6. doi:
10.1007/s00894-022-05409-z. [PMID: 36484830] - Ali Saber Abdelhameed, Ahmed H Bakheit, Eman S Hassan, Amer M Alanazi, Ahmed M Naglah, Haitham AlRabiah. Spectroscopic and computational investigation of the interaction between the new anticancer agent enasidenib and human serum albumin.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
2022 Apr; 270(?):120790. doi:
10.1016/j.saa.2021.120790. [PMID: 34974294] - Bin Fan, Yue Chen, Feng Yin, Lei Hua, Caroline Almon, Salah Nabhan, Michael Cooper, Hua Yang, Mohammad Hossain. Pharmacokinetic/Pharmacodynamic Evaluation of Ivosidenib or Enasidenib Combined With Intensive Induction and Consolidation Chemotherapy in Patients With Newly Diagnosed IDH1/2-Mutant Acute Myeloid Leukemia.
Clinical pharmacology in drug development.
2022 04; 11(4):429-441. doi:
10.1002/cpdd.1067. [PMID: 35166065] - Yiming Cheng, Xiaomin Wang, Zeen Tong, Josephine Reyes, Leon Carayannopoulos, Simon Zhou, Yan Li. Assessment of Transporter-Mediated Drug Interactions for Enasidenib Based on a Cocktail Study in Patients With Relapse or Refractory Acute Myeloid Leukemia or Myelodysplastic Syndrome.
Journal of clinical pharmacology.
2022 04; 62(4):494-504. doi:
10.1002/jcph.1979. [PMID: 34617279] - Bo-Wen Wang, Cheng-Zheng Qiu, Chang-Qian Tang, Jia-Hui Zhang, Yi Zhang, Qi-Guang Du, Yi Feng, Xiang-Jun Qiu. UPLC-MS/MS for the Herb-Drug Interactions of Xiao-Ai-Ping Injection on Enasidenib in Rats Based on Pharmacokinetics.
BioMed research international.
2021; 2021(?):6636266. doi:
10.1155/2021/6636266. [PMID: 33688498] - Jinxin Che, Feng Huang, Mengmeng Zhang, Gaoya Xu, Bingxue Qu, Jian Gao, Binhui Chen, Jianjun Zhang, Huazhou Ying, Yongzhou Hu, Xiaobei Hu, Yubo Zhou, Anhui Gao, Jia Li, Xiaowu Dong. Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells.
European journal of medicinal chemistry.
2020 Oct; 203(?):112491. doi:
10.1016/j.ejmech.2020.112491. [PMID: 32679449] - Zhenyu Li, Xingkang Wu, Lejiao Jia, Jun Li, Rui Zhang, Hui Tang, Zhiying Li, Huagang Bu, Chengwu Shen. Design and synthesis of novel 2-arylbenzimidazoles as selective mutant isocitrate dehydrogenase 2 R140Q inhibitors.
Bioorganic & medicinal chemistry letters.
2020 05; 30(9):127070. doi:
10.1016/j.bmcl.2020.127070. [PMID: 32143887] - Sreekanth Dittakavi, Gurulingappa Hallur, Buchi Reddy Purra, Vinay Kiran, Ashok Zakkula, Ramesh Mullangi. Validated LC-MS/MS Method for Simultaneous Quantitation of Enasidenib and its Active Metabolite, AGI-16903 in Small Volume Mice Plasma: Application to a Pharmacokinetic Study.
Drug research.
2020 Jan; 70(1):41-48. doi:
10.1055/a-1024-3623. [PMID: 31652462] - Ashok Zakkula, Sreekanth Dittakavi, Malika Muskan Maniyar, Naveem Syed, Suresh P Sulochana, Mohd Zainuddin, Ramesh Mullangi. Validated HPLC method for simultaneous quantification of mutant IDH1/2 inhibitors (enasidenib, ivosidenib and vorasidenib) in mouse plasma: Application to a pharmacokinetic study.
Biomedical chromatography : BMC.
2019 Nov; 33(11):e4658. doi:
10.1002/bmc.4658. [PMID: 31325170] - Zeen Tong, Usha Yerramilli, Sylvia Yao, James D Young, Matthew Hoffmann, Sekhar Surapaneni. In vitro inhibition of human nucleoside transporters and uptake of azacitidine by an isocitrate dehydrogenase-2 inhibitor enasidenib and its metabolite AGI-16903.
Xenobiotica; the fate of foreign compounds in biological systems.
2019 Oct; 49(10):1229-1236. doi:
10.1080/00498254.2018.1539783. [PMID: 30394160] - Zeen Tong, Christian Atsriku, Usha Yerramilli, Xiaomin Wang, Yan Li, Josephine Reyes, Bin Fan, Hua Yang, Matthew Hoffmann, Sekhar Surapaneni. Absorption, distribution, metabolism and excretion of an isocitrate dehydrogenase-2 inhibitor enasidenib in rats and humans.
Xenobiotica; the fate of foreign compounds in biological systems.
2019 Feb; 49(2):200-210. doi:
10.1080/00498254.2018.1425511. [PMID: 29320949] - Ni-Hong Pang, Qian Liu, Xiang-Ran Lu, Su-Fen Yang, Dong-Dong Lin, Guo-Xin Hu. Determination and pharmacokinetic study of Enasidenib in rat plasma by UPLC-MS/MS.
Journal of pharmaceutical and biomedical analysis.
2018 Aug; 157(?):165-170. doi:
10.1016/j.jpba.2018.04.039. [PMID: 29803908] - Alwin Krämer, Tilmann Bochtler. Enasidenib.
Recent results in cancer research. Fortschritte der Krebsforschung. Progres dans les recherches sur le cancer.
2018 ; 212(?):187-197. doi:
10.1007/978-3-319-91439-8_9. [PMID: 30069631]