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atogepant |
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CHEBI:196955 |
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A secondary carboxamide resulting from the formal condensation of the carboxy group of (3'S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid with the amino group of (3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one. It is a selective oral, small-molecule antagonist of calcitonin gene-related peptide (CGRP) receptor that has been approved for the treatment of migraine. |
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This entity has been manually annotated by the ChEBI Team.
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Molfile
XML
SDF
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InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1 |
QIVUCLWGARAQIO-OLIXTKCUSA-N |
[H][C@]1(C[C@H](NC(=O)C2=CC3=C(C[C@]4(C3)C(=O)NC3=C4C=CC=N3)N=C2)C(=O)N(CC(F)(F)F)[C@@H]1C)C1=C(F)C=CC(F)=C1F |
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calcitonin gene-related peptide receptor antagonist
An antagonist at any calcitonin gene-related peptide receptor.
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View more via ChEBI Ontology
(3'S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide
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atogepant
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WHO MedNet
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atogepant
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WHO MedNet
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atogépant
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WHO MedNet
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atogepantum
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WHO MedNet
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AGN-241689
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DrugBank
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MK-8031
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DrugBank
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1374248-81-3
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CAS Registry Number
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DrugBank
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34407343
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PubMed citation
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Europe PMC
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34813050
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34964810
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35085204
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35093013
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35230651
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35319319
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35332801
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35358493
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35469689
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35493707
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35675076
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35705886
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35983926
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36153941
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36226229
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36602199
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36651532
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37516124
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37516125
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37564925
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37630989
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