Ertiprotafib (BioDeep_00000837667)
代谢物信息卡片
化学式: C31H27BrO3S (558.0864172)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC1=CC(=CC(=C1OC(CC2=CC=CC=C2)C(=O)O)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C
InChI: InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1
描述信息
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
Ertiprotafib is an inhibitor of PTP1B, IkB kinase β (IKK-β), and a dual PPARα and PPARβ agonist, with an IC50 of 1.6 μM for PTP1B, 400 nM for IKK-β, an EC50 of ~1 μM for PPARα/PPARβ.
同义名列表
2 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
- KEGGdrug: D04050
- PubChem: 157049
- DrugBank: DB06521
- ChEMBL: CHEMBL184041
- CAS: 251303-04-5
- medchemexpress: HY-19383
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
- Chao Liang, Louise Kjaerulff, Paul Robert Hansen, Kenneth T Kongstad, Dan Staerk. Dual High-Resolution α-Glucosidase and PTP1B Inhibition Profiling Combined with HPLC-PDA-HRMS-SPE-NMR Analysis for the Identification of Potentially Antidiabetic Chromene Meroterpenoids from Rhododendron capitatum.
Journal of natural products.
2021 09; 84(9):2454-2467. doi:
10.1021/acs.jnatprod.1c00454. [PMID: 34460246] - Hans Albert Pedersen, Chi Ndi, Susan J Semple, Bevan Buirchell, Birger Lindberg Møller, Dan Staerk. PTP1B-Inhibiting Branched-Chain Fatty Acid Dimers from Eremophila oppositifolia subsp. angustifolia Identified by High-Resolution PTP1B Inhibition Profiling and HPLC-PDA-HRMS-SPE-NMR Analysis.
Journal of natural products.
2020 05; 83(5):1598-1610. doi:
10.1021/acs.jnatprod.0c00070. [PMID: 32255628] - Kazuya Otake, Satoru Azukizawa, Masaki Fukui, Kazuyoshi Kunishiro, Hikaru Kamemoto, Mamoru Kanda, Tomohiro Miike, Masayasu Kasai, Hiroaki Shirahase. Novel (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids: peroxisome proliferator-activated receptor γ selective agonists with protein-tyrosine phosphatase 1B inhibition.
Bioorganic & medicinal chemistry.
2012 Jan; 20(2):1060-75. doi:
10.1016/j.bmc.2011.11.035. [PMID: 22197396] - Suja Shrestha, Bharat Raj Bhattarai, Heeyeong Cho, Joong-Kwon Choi, Hyeongjin Cho. PTP1B inhibitor Ertiprotafib is also a potent inhibitor of IkappaB kinase beta (IKK-beta).
Bioorganic & medicinal chemistry letters.
2007 May; 17(10):2728-30. doi:
10.1016/j.bmcl.2007.03.001. [PMID: 17407812] - David V Erbe, Suyue Wang, Yan-Ling Zhang, Kimberly Harding, Leslie Kung, May Tam, Leslie Stolz, Yuzhe Xing, Sarah Furey, Ariful Qadri, Lori D Klaman, James F Tobin. Ertiprotafib improves glycemic control and lowers lipids via multiple mechanisms.
Molecular pharmacology.
2005 Jan; 67(1):69-77. doi:
10.1124/mol.104.005553. [PMID: 15475571]