telcagepant

Ligand id: 703

Name: telcagepant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.33
Molecular weight 566.21
XLogP 3.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Gottschalk PC. (2016)
Telcagepant--almost gone, but not to be forgotten (invited editorial related to Ho et al., 2015).
Cephalalgia, 36 (2): 103-5. [PMID:25944815]
2. Ho TW, Connor KM, Zhang Y, Pearlman E, Koppenhaver J, Fan X, Lines C, Edvinsson L, Goadsby PJ, Michelson D. (2014)
Randomized controlled trial of the CGRP receptor antagonist telcagepant for migraine prevention.
Neurology, 83 (11): 958-66. [PMID:25107879]
3. Ho TW, Ho AP, Ge YJ, Assaid C, Gottwald R, MacGregor EA, Mannix LK, van Oosterhout WP, Koppenhaver J, Lines C et al.. (2016)
Randomized controlled trial of the CGRP receptor antagonist telcagepant for prevention of headache in women with perimenstrual migraine.
Cephalalgia, 36 (2): 148-61. [PMID:25926620]
4. Salvatore CA, Hershey JC, Corcoran HA, Fay JF, Johnston VK, Moore EL, Mosser SD, Burgey CS, Paone DV, Shaw AW, Graham SL, Vacca JP, Williams TM, Koblan KS, Kane SA. (2008)
Pharmacological characterization of MK-0974 [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], a potent and orally active calcitonin gene-related peptide receptor antagonist for the treatment of migraine.
J Pharmacol Exp Ther, 324: 416-421. [PMID:18039958]