Avagacestat (BioDeep_00000015360)
代谢物信息卡片
化学式: C20H17ClF4N4O4S (520.059512)
中文名称: 塞来西布
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl
InChI: InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
描述信息
D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
同义名列表
1 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:177493
- KEGG: C71464
- KEGGdrug: D09869
- PubChem: 46883536
- DrugBank: DB11893
- ChEMBL: CHEMBL1090771
- CAS: 1146699-66-2
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
- Frank J Simutis, Thomas P Sanderson, Gary D Pilcher, Michael J Graziano. Investigations on the Relationship between Ovarian, Endocrine, and Renal Findings in Nonclinical Safety Studies of the γ-secretase Inhibitor Avagacestat.
Toxicological sciences : an official journal of the Society of Toxicology.
2019 Jun; ?(?):. doi:
10.1093/toxsci/kfz129. [PMID: 31165171] - Frank J Simutis, Thomas P Sanderson, Gary D Pilcher, Michael J Graziano. Nonclinical Safety Assessment of the γ-Secretase Inhibitor Avagacestat.
Toxicological sciences : an official journal of the Society of Toxicology.
2018 06; 163(2):525-542. doi:
10.1093/toxsci/kfy048. [PMID: 29529279] - Charles F Albright, Randy C Dockens, Jere E Meredith, Richard E Olson, Randy Slemmon, Kimberley A Lentz, Jun-Sheng Wang, R Rex Denton, Gary Pilcher, Paul W Rhyne, Joseph J Raybon, Donna M Barten, Catherine Burton, Jeremy H Toyn, Sethu Sankaranarayanan, Craig Polson, Valerie Guss, Randy White, Frank Simutis, Thomas Sanderson, Kevin W Gillman, John E Starrett, Joanne Bronson, Oleksandr Sverdlov, Shu-Pang Huang, Lorna Castaneda, Howard Feldman, Vlad Coric, Robert Zaczek, John E Macor, John Houston, Robert M Berman, Gary Tong. Pharmacodynamics of selective inhibition of γ-secretase by avagacestat.
The Journal of pharmacology and experimental therapeutics.
2013 Mar; 344(3):686-95. doi:
10.1124/jpet.112.199356. [PMID: 23275065] - Gary Tong, Jun-Sheng Wang, Oleksandr Sverdlov, Shu-Pang Huang, Randy Slemmon, Robert Croop, Lorna Castaneda, Huidong Gu, Oi Wong, Hewei Li, Robert M Berman, Christina Smith, Charles F Albright, Randy Dockens. A contrast in safety, pharmacokinetics and pharmacodynamics across age groups after a single 50 mg oral dose of the γ-secretase inhibitor avagacestat.
British journal of clinical pharmacology.
2013 Jan; 75(1):136-45. doi:
10.1111/j.1365-2125.2012.04339.x. [PMID: 22616739] - Gary Tong, Lorna Castaneda, Jun-Sheng Wang, Oleksandr Sverdlov, Shu-Pang Huang, Randy Slemmon, Huidong Gu, Oi Wong, Hewei Li, Robert M Berman, Christina Smith, Charles Albright, Randy C Dockens. Effects of single doses of avagacestat (BMS-708163) on cerebrospinal fluid Aβ levels in healthy young men.
Clinical drug investigation.
2012 Nov; 32(11):761-9. doi:
10.1007/s40261-012-0006-4. [PMID: 23018285] - Randy Dockens, Jun-Sheng Wang, Lorna Castaneda, Oleksandr Sverdlov, Shu-Pang Huang, Randy Slemmon, Huidong Gu, Oi Wong, Hewei Li, Robert M Berman, Christina Smith, Charles F Albright, Gary Tong. A placebo-controlled, multiple ascending dose study to evaluate the safety, pharmacokinetics and pharmacodynamics of avagacestat (BMS-708163) in healthy young and elderly subjects.
Clinical pharmacokinetics.
2012 Oct; 51(10):681-93. doi:
10.1007/s40262-012-0005-x. [PMID: 23018531] - Gary Tong, Jun-Sheng Wang, Oleksandr Sverdlov, Shu-Pang Huang, Randy Slemmon, Robert Croop, Lorna Castaneda, Huidong Gu, Oi Wong, Hewei Li, Robert M Berman, Christina Smith, Charles F Albright, Randy C Dockens. Multicenter, randomized, double-blind, placebo-controlled, single-ascending dose study of the oral γ-secretase inhibitor BMS-708163 (Avagacestat): tolerability profile, pharmacokinetic parameters, and pharmacodynamic markers.
Clinical therapeutics.
2012 Mar; 34(3):654-67. doi:
10.1016/j.clinthera.2012.01.022. [PMID: 22381714] - Yasong Lu, Liming Zhang, Charles E Nolan, Stacey L Becker, Kevin Atchison, Ashley E Robshaw, Leslie R Pustilnik, Sarah M Osgood, Emily H Miller, Antonia F Stepan, Chakrapani Subramanyam, Ivan Efremov, Andrew J Hallgren, David Riddell. Quantitative pharmacokinetic/pharmacodynamic analyses suggest that the 129/SVE mouse is a suitable preclinical pharmacology model for identifying small-molecule γ-secretase inhibitors.
The Journal of pharmacology and experimental therapeutics.
2011 Dec; 339(3):922-34. doi:
10.1124/jpet.111.186791. [PMID: 21930801] - Huidong Gu, Yuzhong Deng, Jian Wang, Anne-Françoise Aubry, Mark E Arnold. Development and validation of sensitive and selective LC-MS/MS methods for the determination of BMS-708163, a gamma-secretase inhibitor, in plasma and cerebrospinal fluid using deprotonated or formate adduct ions as precursor ions.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2010 Sep; 878(25):2319-26. doi:
10.1016/j.jchromb.2010.06.041. [PMID: 20674522]