elagolix (BioDeep_00000763402)
代谢物信息卡片
化学式: C32H30F5N3O5 (631.2105509999999)
中文名称: 恶拉戈利
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F
InChI: InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
描述信息
H - Systemic hormonal preparations, excl. sex hormones and insulins > H01 - Pituitary and hypothalamic hormones and analogues > H01C - Hypothalamic hormones > H01CC - Anti-gonadotropin-releasing hormones
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
同义名列表
1 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
- ChEBI: CHEBI:177453
- KEGGdrug: D09335
- PubChem: 11250647
- DrugBank: DB11979
- ChEMBL: CHEMBL1208155
- CAS: 834153-87-6
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
- Dwaipayan Mukherjee, Manoj S Chiney, Xi Shao, Tzuchi R Ju, Mohamad Shebley, Patrick Marroum. Physiologically based pharmacokinetic modeling and simulations to inform dissolution specifications and clinical relevance of release rates on elagolix exposure.
Biopharmaceutics & drug disposition.
2022 Jun; 43(3):98-107. doi:
10.1002/bdd.2315. [PMID: 35405765] - Ahmed Nader, Nael M Mostafa, Farah Ali, Mohamad Shebley. Drug-Drug Interaction Studies of Elagolix with Oral and Transdermal Low-Dose Hormonal Add-Back Therapy.
Clinical pharmacokinetics.
2021 01; 60(1):133-143. doi:
10.1007/s40262-020-00921-y. [PMID: 32696440] - Insa Winzenborg, Ahmed M Soliman, Mohamad Shebley. A Personalized Medicine Approach Using Clinical Utility Index and Exposure-Response Modeling Informed by Patient Preferences Data.
CPT: pharmacometrics & systems pharmacology.
2021 01; 10(1):40-47. doi:
10.1002/psp4.12570. [PMID: 33200566] - Wei Yan, Lin Cheng, Wei Wang, Chao Wu, Xin Yang, Xiaozhe Du, Liang Ma, Shiqian Qi, Yuquan Wei, Zhiliang Lu, Shengyong Yang, Zhenhua Shao. Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nature communications.
2020 10; 11(1):5287. doi:
10.1038/s41467-020-19109-w. [PMID: 33082324] - Juki Ng, W Rachel Duan, Thomas Marbury, Jeffrey M Schmidt, Cheri E Klein. Elagolix Pharmacokinetic Profiles in Women With Renal or Hepatic Impairment.
Clinical pharmacology in drug development.
2019 11; 8(8):1053-1061. doi:
10.1002/cpdd.640. [PMID: 30570832] - Paolo Vercellini, Paola Viganò, Giussy Barbara, Laura Buggio, Edgardo Somigliana. Elagolix for endometriosis: all that glitters is not gold.
Human reproduction (Oxford, England).
2019 02; 34(2):193-199. doi:
10.1093/humrep/dey368. [PMID: 30551159] - Kazuhiro Miwa, Takenori Hitaka, Takashi Imada, Satoshi Sasaki, Mie Yoshimatsu, Masami Kusaka, Akira Tanaka, Daisuke Nakata, Shuichi Furuya, Satoshi Endo, Kazumasa Hamamura, Tomoyuki Kitazaki. Discovery of 1-{4-[1-(2,6-difluorobenzyl)-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor.
Journal of medicinal chemistry.
2011 Jul; 54(14):4998-5012. doi:
10.1021/jm200216q. [PMID: 21657270] - R Scott Struthers, Andrew J Nicholls, John Grundy, Takung Chen, Roland Jimenez, Samuel S C Yen, Haig P Bozigian. Suppression of gonadotropins and estradiol in premenopausal women by oral administration of the nonpeptide gonadotropin-releasing hormone antagonist elagolix.
The Journal of clinical endocrinology and metabolism.
2009 Feb; 94(2):545-51. doi:
10.1210/jc.2008-1695. [PMID: 19033369]