AG-120 (BioDeep_00000658461)
代谢物信息卡片
化学式: C28H22ClF3N6O3 (582.1393928)
中文名称: 艾伏尼布, 1-(4-氰基-2-吡啶基)-5-氧代-L-脯氨酰-2-(2-氯苯基)-N-(3,3-二氟环丁基)-N2-(5-氟-3-吡啶基)甘氨酰胺
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N
InChI: InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
描述信息
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor > C168618 - IDH1 inhibitor
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
D000970 - Antineoplastic Agents
D004791 - Enzyme Inhibitors
IDH1 Inhibitor 8 (91) is isocitrate dehydrogenase 1 (IDH1) inhibitor. IDH1 Inhibitor 8 can be used for the research of cancer[1].
Ivosidenib (AG-120) is an orally active inhibitor of isocitrate dehydrogenase 1 mutant (mIDH1) enzyme, it exhibits profound d-2-hydroxyglutatrate (2-HG) lowering in vivo. Ivosidenib (AG-120) has the potential for AML therapy due to its acceptable safety profile and clinical activity[1].
同义名列表
3 个代谢物同义名
数据库引用编号
9 个数据库交叉引用编号
- ChEBI: CHEBI:145430
- KEGGdrug: D11090
- PubChem: 71657455
- DrugBank: DB14568
- ChEMBL: CHEMBL3989958
- CAS: 1448347-49-6
- CAS: 1448346-63-1
- medchemexpress: HY-41648
- medchemexpress: HY-18767
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
- 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] - Yue Chen, Nelamangala V Nagaraja, Bin Fan, Luke Utley, Rene M Lemieux, Janeta Popovici-Muller, Lenny Dang, Hyeryun Kim, Liping Yan, Shin-San M Su, Scott A Biller, Hua Yang. Preclinical Drug Metabolism, Pharmacokinetic, and Pharmacodynamic Profiles of Ivosidenib, an Inhibitor of Mutant Isocitrate Dehydrogenase 1 for Treatment of Isocitrate Dehydrogenase 1-Mutant Malignancies.
Drug metabolism and disposition: the biological fate of chemicals.
2021 10; 49(10):870-881. doi:
10.1124/dmd.120.000234. [PMID: 34321251] - Jayaprakasam Bolleddula, Alice Ke, Hua Yang, Chandra Prakash. PBPK modeling to predict drug-drug interactions of ivosidenib as a perpetrator in cancer patients and qualification of the Simcyp platform for CYP3A4 induction.
CPT: pharmacometrics & systems pharmacology.
2021 06; 10(6):577-588. doi:
10.1002/psp4.12619. [PMID: 33822485] - Feng Yin, Shaoxia Yu, Rohini Narayanaswamy, Heidi Mangus, Erin McCourt, Guowen Liu. Quantitation of ivosidenib in human plasma via LC-MS/MS and its application in clinical trials.
Bioanalysis.
2021 Jun; 13(11):875-889. doi:
10.4155/bio-2021-0034. [PMID: 33998826] - Xuemin Jiang, Russ Wada, Bill Poland, Huub Jan Kleijn, Bin Fan, Guowen Liu, Hua Liu, Stephanie Kapsalis, Hua Yang, Kha Le. Population pharmacokinetic and exposure-response analyses of ivosidenib in patients with IDH1-mutant advanced hematologic malignancies.
Clinical and translational science.
2021 05; 14(3):942-953. doi:
10.1111/cts.12959. [PMID: 33493392] - Bin Fan, David Dai, Marvin Cohen, Huansheng Xu, Feng Yin, Raj Nagaraja, Michelle Mobilia, Caroline Almon, Frank G Basile, Hua Yang. Effect of Mild and Moderate Hepatic Impairment on the Pharmacokinetics, Safety, and Tolerability of a Single Dose of Oral Ivosidenib in Otherwise Healthy Participants.
Clinical pharmacology in drug development.
2021 01; 10(1):99-109. doi:
10.1002/cpdd.821. [PMID: 32648303] - Chandra Prakash, Bin Fan, Alice Ke, Kha Le, Hua Yang. Physiologically based pharmacokinetic modeling and simulation to predict drug-drug interactions of ivosidenib with CYP3A perpetrators in patients with acute myeloid leukemia.
Cancer chemotherapy and pharmacology.
2020 11; 86(5):619-632. doi:
10.1007/s00280-020-04148-3. [PMID: 32978634] - Saili Xie, Lei Ye, Xuemei Ye, Guanyang Lin, Ren-Ai Xu. Inhibitory effects of voriconazole, itraconazole and fluconazole on the pharmacokinetic profiles of ivosidenib in rats by UHPLC-MS/MS.
Journal of pharmaceutical and biomedical analysis.
2020 Aug; 187(?):113353. doi:
10.1016/j.jpba.2020.113353. [PMID: 32417565] - William D Tap, Victor M Villalobos, Gregory M Cote, Howard Burris, Filip Janku, Olivier Mir, Murali Beeram, Andrew J Wagner, Liewen Jiang, Bin Wu, Sung Choe, Katharine Yen, Camelia Gliser, Bin Fan, Sam Agresta, Shuchi S Pandya, Jonathan C Trent. Phase I Study of the Mutant IDH1 Inhibitor Ivosidenib: Safety and Clinical Activity in Patients With Advanced Chondrosarcoma.
Journal of clinical oncology : official journal of the American Society of Clinical Oncology.
2020 05; 38(15):1693-1701. doi:
10.1200/jco.19.02492. [PMID: 32208957] - Bin Fan, David Dai, Courtney D DiNardo, Eytan Stein, Stéphane de Botton, Eyal C Attar, Hua Liu, Guowen Liu, Ian Lemieux, Samuel V Agresta, Hua Yang. Clinical pharmacokinetics and pharmacodynamics of ivosidenib in patients with advanced hematologic malignancies with an IDH1 mutation.
Cancer chemotherapy and pharmacology.
2020 05; 85(5):959-968. doi:
10.1007/s00280-020-04064-6. [PMID: 32296873] - Bin Fan, Ingo K Mellinghoff, Patrick Y Wen, Maeve A Lowery, Lipika Goyal, William D Tap, Shuchi S Pandya, Erika Manyak, Liewen Jiang, Guowen Liu, Tara Nimkar, Camelia Gliser, Molly Prahl Judge, Sam Agresta, Hua Yang, David Dai. Clinical pharmacokinetics and pharmacodynamics of ivosidenib, an oral, targeted inhibitor of mutant IDH1, in patients with advanced solid tumors.
Investigational new drugs.
2020 04; 38(2):433-444. doi:
10.1007/s10637-019-00771-x. [PMID: 31028664] - 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] - Sreekanth Dittakavi, Rakesh Kumar Jat, Ramesh Mullangi. Quantitation of Ivosidenib, A Novel Mutant IDH1 Inhibitoron Mice DBS: Application to a Pharmacokinetic Study.
Drug research.
2019 Sep; 69(9):505-511. doi:
10.1055/a-0857-6591. [PMID: 30822797] - Jian Lin, Wei Lu, Justin A Caravella, Ann Marie Campbell, R Bruce Diebold, Anna Ericsson, Edward Fritzen, Gary R Gustafson, David R Lancia, Tatiana Shelekhin, Zhongguo Wang, Jennifer Castro, Andrea Clarke, Deepali Gotur, Helen R Josephine, Marie Katz, Hien Diep, Mark Kershaw, Lili Yao, Goss Kauffman, Stephen E Hubbs, George P Luke, Angela V Toms, Liann Wang, Kenneth W Bair, Kenneth J Barr, Christopher Dinsmore, Duncan Walker, Susan Ashwell. Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
Journal of medicinal chemistry.
2019 07; 62(14):6575-6596. doi:
10.1021/acs.jmedchem.9b00362. [PMID: 31199148] - Chandra Prakash, Bin Fan, Syed Altaf, Sam Agresta, Hua Liu, Hua Yang. Pharmacokinetics, absorption, metabolism, and excretion of [14C]ivosidenib (AG-120) in healthy male subjects.
Cancer chemotherapy and pharmacology.
2019 05; 83(5):837-848. doi:
10.1007/s00280-019-03793-7. [PMID: 30758648]