Drug Information

Drug General Information
Drug ID
D0L5GH
Former ID
DCL000187
Drug Name
Olcegepant
Synonyms
Olcegepant [INN]; BIBN 4096; BIBN 4096 BS; BIBN-4096; BIBN-4096BS; 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; 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
Drug Type
Small molecular drug
Indication Migraine [ICD9: 346; ICD10:G43] Phase 2 [524842], [542045]
Company
Boehringer Ingelheim
Structure
Download
2D MOL

3D MOL
Formula
C38H47Br2N9O5
InChI
InChI=1S/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,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
InChIKey
ITIXDWVDFFXNEG-JHOUSYSJSA-N
PubChem Compound ID
6918509
PubChem Substance ID
12015401, 14865271, 14889589, 17194931, 43529879, 50067855, 52987815, 92098514, 92098550, 103486636, 104068463, 114788083, 128217609, 134338856, 135215198, 135649990, 137105045, 142707709, 152258083, 160646922, 186014799, 198977553, 228378078, 241377058, 249618189, 252158172, 252480335
Target and Pathway
Target(s) Calcitoningene-related peptide type 1 receptor Target Info Modulator
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
Ref 524842ClinicalTrials.gov (NCT02198339) Efficacy, Safety, Tolerability and Pharmacokinetics of BIBN 4096 BS Versus Placebo in the Treatment of a Single Attack of Acute Migraine Headache. U.S. National Institutes of Health.
Ref 542045(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: 702).

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