Therapeutic Targets Database
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TTD Drug ID: DCL000187

Drug Information
NameOlcegepant
SynonymsBIBN-4096BS; Olcegepant; BIBN 4096 BS; AC1OCFIR; N-((1R)-2-(((1S)-5-Amino-1-((4-(pyridin-4-yl)piperazin-1-yl)carbonyl)pentyl)amino)-1-(3,5-dibromo-4-hydroxybenzyl)-2-oxoethyl)-4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidine-1-carboxamide; CID6918509; BIBN 4096; CHEBI:446036; 204697-65-4; BIBN-4096; Olcegepant [INN]; N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; LS-184037; C492454; CHEMBL207197
CompanyBoehringer Ingelheim
IndicationMigraine and Cluster Headaches
[ICD9: 339.00, 339.01, 339.02, 346   ICD10: G43, G44.0]
Discontinued in Phase I/II    
Structure

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InChI1S/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,4
3,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
InChIKeyITIXDWVDFFXNEG-JHOUSYSJSA-N
Canonical SMILESC1CN(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    
Isomeric SMILESC1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N
[C@@H](CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6
FormulaC38H47Br2N9
PubChem Compound IDCID 6918509.
PubChem Substance IDSID 3819966.
TargetCalcitonin gene-related peptide 1Inhibitor[1][2][3]
Ref 1Role of calcitonin gene-related peptide in light-aversive behavior: implications for migraine. J Neurosci. 2009 Jul 8;29(27):8798-804. To Reference
Ref 2Future drugs for migraine. Intern Emerg Med. 2009 Jun 24. [Epub ahead of print] To Reference
Ref 3CGRP antagonists: novel concept for treatment of migraine. Med Monatsschr Pharm. 2009 May;32(5):182-5. To Reference



 

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