Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0G5ME
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| Former ID |
DCL000245
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| Drug Name |
Telcagepant
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| Synonyms |
MK 0974; MK0974; N7R; MK-0974; Telcagepant (USAN); N-(6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Cluster headache [ICD-11: 8A81.0; ICD-10: G44.0] | Phase 2 | [1], [2] | |
| Migraine [ICD-11: 8A80; ICD-10: G43, G43.9] | Phase 2 | [1], [2] | ||
| Company |
Merck
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| Structure |
 |
Download2D MOL |
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| Formula |
C26H27F5N6O3
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| Canonical SMILES |
C1CC(C(=O)N(CC1C2=C(C(=CC=C2)F)F)CC(F)(F)F)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5
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| InChI |
1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
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| InChIKey |
CGDZXLJGHVKVIE-DNVCBOLYSA-N
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| CAS Number |
CAS 781649-09-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
16408359, 23483858, 42398398, 50086919, 78803299, 92729812, 96026071, 99309436, 103540294, 104096050, 124759702, 126644887, 126671464, 134338905, 135252959, 135650613, 137129409, 137218143, 142873739, 152040111, 152258782, 160647633, 162011860, 164042003, 170483386, 174530715, 186007068, 198956378, 223401406, 223681575, 223908263, 227432522, 242716616, 251963157, 252225038, 252481235
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcitonin gene-related peptide receptor (CGRPR) | Target Info | Antagonist | [3], [4], [5] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Vascular smooth muscle contraction | ||||
| Reactome | G alpha (s) signalling events | |||
| Calcitonin-like ligand receptors | ||||
| WikiPathways | GPCRs, Class B Secretin-like | |||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 703). | |||
| REF 2 | ACS chemical neuroscience molecule spotlight on Telcagepant (MK-0974). ACS Chem Neurosci. 2011 Jul 20;2(7):334-5. | |||
| REF 3 | CGRP antagonists: novel concept for treatment of migraine. Med Monatsschr Pharm. 2009 May;32(5):182-5. | |||
| REF 4 | Elimination of diastereomer interference to determine Telcagepant (MK-0974) in human plasma using on-line turbulent-flow technology and off-line so... J Chromatogr B Analyt Technol Biomed Life Sci. 2009 Jun 1;877(16-17):1634-42. | |||
| REF 5 | A flexible and high throughput liquid chromatography-tandem mass spectrometric assay for the quantitation of telcagepant in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2009 May 15;877(14-15):1465-71. | |||
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