Olcegepant (BioDeep_00000765114)
代谢物信息卡片
Olcegepant
化学式: C38H47Br2N9O5 (867.2067)
中文名称: Olcegepant
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6
InChI: InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
描述信息
D002491 - Central Nervous System Agents > D000700 - Analgesics > D000077221 - Calcitonin Gene-Related Peptide Receptor Antagonists
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
C78272 - Agent Affecting Nervous System
同义名列表
1 个代谢物同义名
相关代谢途径
Reactome(0)
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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
- Sarah J Bucknell, Mark A Ator, Alastair J H Brown, Jason Brown, Andrew D Cansfield, Julie E Cansfield, John A Christopher, Miles Congreve, Gabriella Cseke, Francesca Deflorian, Christopher R Jones, Jonathan S Mason, M Alistair O'Brien, Gregory R Ott, Mark Pickworth, Stacey M Southall. Structure-Based Drug Discovery of N-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
Journal of medicinal chemistry.
2020 07; 63(14):7906-7920. doi:
10.1021/acs.jmedchem.0c01003. [PMID: 32558564] - Gene M Dubowchik, Charles M Conway, Alison W Xin. Blocking the CGRP Pathway for Acute and Preventive Treatment of Migraine: The Evolution of Success.
Journal of medicinal chemistry.
2020 07; 63(13):6600-6623. doi:
10.1021/acs.jmedchem.9b01810. [PMID: 32058712] - S Hirsch, F Birklein. [Pain-relieving effect of CGRP antagonism on inflammatory pain].
Schmerz (Berlin, Germany).
2014 Oct; 28(5):532-5. doi:
10.1007/s00482-014-1460-0. [PMID: 25186006] - Silke Hirsch, Laura Corradini, Stefan Just, Kirsten Arndt, Henri Doods. The CGRP receptor antagonist BIBN4096BS peripherally alleviates inflammatory pain in rats.
Pain.
2013 May; 154(5):700-707. doi:
10.1016/j.pain.2013.01.002. [PMID: 23473785] - Ian M Bell, Craig A Stump, Steven N Gallicchio, Donnette D Staas, C Blair Zartman, Eric L Moore, Nova Sain, Mark Urban, Joseph G Bruno, Amy Calamari, Amanda L Kemmerer, Scott D Mosser, Christine Fandozzi, Rebecca B White, Matthew M Zrada, Harold G Selnick, Samuel L Graham, Joseph P Vacca, Stefanie A Kane, Christopher A Salvatore. MK-8825: a potent and selective CGRP receptor antagonist with good oral activity in rats.
Bioorganic & medicinal chemistry letters.
2012 Jun; 22(12):3941-5. doi:
10.1016/j.bmcl.2012.04.105. [PMID: 22607672] - Karl Messlinger, Michael J M Fischer, Jochen K Lennerz. Neuropeptide effects in the trigeminal system: pathophysiology and clinical relevance in migraine.
The Keio journal of medicine.
2011; 60(3):82-9. doi:
10.2302/kjm.60.82. [PMID: 21979827] - Caroline Schelstraete, Koen Paemeleire. CGRP antagonists: hope for a new era in acute migraine treatment.
Acta neurologica Belgica.
2009 Dec; 109(4):252-61. doi:
NULL. [PMID: 20120204] - Lihong Du, Cynthia M Miller-Stein, Robert J Valesky, Ashley N Martucci, Eric J Woolf. A flexible and high throughput liquid chromatography-tandem mass spectrometric assay for the quantitation of telcagepant in human plasma.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2009 May; 877(14-15):1465-71. doi:
10.1016/j.jchromb.2009.03.019. [PMID: 19346171] - R Scott Obach, Franco Lombardo, Nigel J Waters. Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
Drug metabolism and disposition: the biological fate of chemicals.
2008 Jul; 36(7):1385-405. doi:
10.1124/dmd.108.020479. [PMID: 18426954] - S Benemei, P Nicoletti, J A Capone, P Geppetti. Pain pharmacology in migraine: focus on CGRP and CGRP receptors.
Neurological sciences : official journal of the Italian Neurological Society and of the Italian Society of Clinical Neurophysiology.
2007 May; 28 Suppl 2(?):S89-93. doi:
10.1007/s10072-007-0757-5. [PMID: 17508187] - Debbie L Hay, David Poyner. The preclinical pharmacology of BIBN4096BS, a CGRP antagonist.
Cardiovascular drug reviews.
2005; 23(1):31-42. doi:
10.1111/j.1527-3466.2005.tb00155.x. [PMID: 15867946] - Udayasankar Arulmani, Antoinette Maassenvandenbrink, Carlos M Villalón, Pramod R Saxena. Calcitonin gene-related peptide and its role in migraine pathophysiology.
European journal of pharmacology.
2004 Oct; 500(1-3):315-30. doi:
10.1016/j.ejphar.2004.07.035. [PMID: 15464043] - M Iovino, U Feifel, C-L Yong, J-M Wolters, G Wallenstein. Safety, tolerability and pharmacokinetics of BIBN 4096 BS, the first selective small molecule calcitonin gene-related peptide receptor antagonist, following single intravenous administration in healthy volunteers.
Cephalalgia : an international journal of headache.
2004 Aug; 24(8):645-56. doi:
10.1111/j.1468-2982.2004.00726.x. [PMID: 15265053] - A D Grant, C W Tam, Z Lazar, M K Shih, S D Brain. The calcitonin gene-related peptide (CGRP) receptor antagonist BIBN4096BS blocks CGRP and adrenomedullin vasoactive responses in the microvasculature.
British journal of pharmacology.
2004 Aug; 142(7):1091-8. doi:
10.1038/sj.bjp.0705824. [PMID: 15237099] - Iñaki F Trocóniz, Jan-Markus Wolters, Hans Guenter Schaefer, Willy Roth. Population pharmacokinetic modelling of BIBN 4096 BS, the first compound of the new class of calcitonin gene-related peptide receptor antagonists.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.
2004 Jul; 22(4):287-95. doi:
10.1016/j.ejps.2004.03.018. [PMID: 15196585] - Paul L Durham. CGRP receptor antagonists: a new choice for acute treatment of migraine?.
Current opinion in investigational drugs (London, England : 2000).
2004 Jul; 5(7):731-5. doi:
NULL. [PMID: 15298069] - Kapil Kapoor, Udayasankar Arulmani, Jan P C Heiligers, Ingrid M Garrelds, Edwin W Willems, Henri Doods, Carlos M Villalón, Pramod R Saxena. Effects of the CGRP receptor antagonist BIBN4096BS on capsaicin-induced carotid haemodynamic changes in anaesthetised pigs.
British journal of pharmacology.
2003 Sep; 140(2):329-38. doi:
10.1038/sj.bjp.0705451. [PMID: 12970078] - Kapil Kapoor, Udayasankar Arulmani, Jan P C Heiligers, Edwin W Willems, Henri Doods, Carlos M Villalón, Pramod R Saxena. Effects of BIBN4096BS on cardiac output distribution and on CGRP-induced carotid haemodynamic responses in the pig.
European journal of pharmacology.
2003 Aug; 475(1-3):69-77. doi:
10.1016/s0014-2999(03)02082-x. [PMID: 12954361] - D M Wu, P A van Zwieten, H N Doods. Effects of calcitonin gene-related peptide and BIBN4096BS on myocardial ischemia in anesthetized rats.
Acta pharmacologica Sinica.
2001 Jul; 22(7):588-94. doi:
NULL. [PMID: 11749821]
