N7R

N-[(3R,6S)-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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Chemical Component Summary

NameN-[(3R,6S)-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
IdentifiersN-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
FormulaC26 H27 F5 N6 O3
Molecular Weight566.523
TypeNON-POLYMER
Isomeric SMILESc1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O
InChIInChI=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
InChIKeyCGDZXLJGHVKVIE-DNVCBOLYSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count71
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB12228 
NameTelcagepant
Groups investigational
DescriptionTelcagepant has been investigated for the treatment of Migraine. It is an antagonist of the receptor for calcitonin gene-related peptide (CGRP), a primary neuropeptide involved in the pathophysiology of migraine. CGRP and its receptors are found in areas of the central and peripheral nervous system that are important for the transmission of migraine pain. During migraine attacks, CGRP activates these receptors and facilitates the transmission of pain impulses.
Synonyms
  • Telcagepant
  • Telcagepant potassium
CAS number781649-09-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Calcitonin gene-related peptide type 1 receptorMEKKCTLNFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQ...unknown
Calcitonin gene-related peptide 1MGFQKFSPFLALSILVLLQAGSLHAAPFRSALESSPADPATLSEDEARLL...unknown
Calcitonin gene-related peptide 2MGFRKFSPFLALSILVLYQAGSLQAAPFRSALESSPDPATLSKEDARLLL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL236593
PubChem 11319053
ChEMBL CHEMBL236593