Omipalisib (BioDeep_00000786431)
代谢物信息卡片
化学式: C25H17F2N5O3S (505.102)
中文名称: 奥米利塞
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F
InChI: InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
描述信息
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Omipalisib (GSK2126458) is an orally active and highly selective inhibitor of PI3K with Kis of 0.019 nM/0.13 nM/0.024 nM/0.06 nM and 0.18 nM/0.3 nM for p110α/β/δ/γ, mTORC1/2, respectively. Omipalisib has anti-cancer activity[1][2][3].
Omipalisib (GSK2126458) is an orally active and highly selective inhibitor of PI3K with Kis of 0.019 nM/0.13 nM/0.024 nM/0.06 nM and 0.18 nM/0.3 nM for p110α/β/δ/γ, mTORC1/2, respectively. Omipalisib has anti-cancer activity[1][2][3].
同义名列表
4 个代谢物同义名
数据库引用编号
7 个数据库交叉引用编号
- ChEBI: CHEBI:95093
- KEGGdrug: D10718
- PubChem: 25167777
- DrugBank: DB12703
- ChEMBL: CHEMBL1236962
- CAS: 1086062-66-9
- medchemexpress: HY-10297
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。
| 亚细胞结构定位 | 关联基因列表 |
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文献列表
- Ruoyu He, Bingyong Xu, Li Ping, Xiaoqing Lv. Structural optimization towards promising β-methyl-4-acrylamido quinoline derivatives as PI3K/mTOR dual inhibitors for anti-cancer therapy: The in vitro and in vivo biological evaluation.
European journal of medicinal chemistry.
2021 Mar; 214(?):113249. doi:
10.1016/j.ejmech.2021.113249. [PMID: 33561608] - Matthew R Hassett, Anna R Sternberg, Paul D Roepe. Inhibition of Human Class I vs Class III Phosphatidylinositol 3'-Kinases.
Biochemistry.
2017 08; 56(33):4326-4334. doi:
10.1021/acs.biochem.7b00413. [PMID: 28719179] - Pamela Munster, Rahul Aggarwal, David Hong, Jan H M Schellens, Ruud van der Noll, Jennifer Specht, Petronella O Witteveen, Theresa L Werner, E Claire Dees, Emily Bergsland, Neeraj Agarwal, Joseph F Kleha, Michael Durante, Laurel Adams, Deborah A Smith, Thomas A Lampkin, Shannon R Morris, Razelle Kurzrock. First-in-Human Phase I Study of GSK2126458, an Oral Pan-Class I Phosphatidylinositol-3-Kinase Inhibitor, in Patients with Advanced Solid Tumor Malignancies.
Clinical cancer research : an official journal of the American Association for Cancer Research.
2016 Apr; 22(8):1932-9. doi:
10.1158/1078-0432.ccr-15-1665. [PMID: 26603258] - Shruthi Vaidhyanathan, Brynna Wilken-Resman, Daniel J Ma, Karen E Parrish, Rajendar K Mittapalli, Brett L Carlson, Jann N Sarkaria, William F Elmquist. Factors Influencing the Central Nervous System Distribution of a Novel Phosphoinositide 3-Kinase/Mammalian Target of Rapamycin Inhibitor GSK2126458: Implications for Overcoming Resistance with Combination Therapy for Melanoma Brain Metastases.
The Journal of pharmacology and experimental therapeutics.
2016 Feb; 356(2):251-9. doi:
10.1124/jpet.115.229393. [PMID: 26604245] - M Emmy M Dolman, Ellen M Westerhout, Mohamed Hamdi, Jan H M Schellens, Jos H Beijnen, Rolf W Sparidans. Liquid chromatography-tandem mass spectrometric assay for the PI3K/mTOR inhibitor GSK2126458 in mouse plasma and tumor homogenate.
Journal of pharmaceutical and biomedical analysis.
2015 Mar; 107(?):403-8. doi:
10.1016/j.jpba.2015.01.026. [PMID: 25659532]
