Drug General Information
Drug ID
D05MSG
Former ID
DNC008664
Drug Name
BMS-694153
Drug Type
Small molecular drug
Indication Migraine [ICD9: 346; ICD10:G43] Investigative [529618]
Structure
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2D MOL

3D MOL

Formula
C35H45FN8O3
Canonical SMILES
CC1=C2C(=CC(=C1)CC(C(=O)N3CCC(CC3)N4CCCCC4)NC(=O)N5CCC(<br />CC5)N6CC7=C(C(=CC=C7)F)NC6=O)C=NN2
InChI
1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1
InChIKey
HBOINTMVWRSZQS-SSEXGKCCSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 2D6 Target Info Inhibitor [529618]
Calcitoningene-related peptide type 1 receptor Target Info Inhibitor [529618]
KEGG Pathway Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Serotonergic synapsehsa04080:Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Reactome XenobioticsR-HSA-418555:G alpha (s) signalling events
Calcitonin-like ligand receptors
WikiPathways Metapathway biotransformation
Tamoxifen metabolism
Oxidation by Cytochrome P450
Vitamin D Receptor Pathway
Aripiprazole Metabolic Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP334:GPCRs, Class B Secretin-like
Endothelin Pathways
GPCR ligand binding
GPCR downstream signaling
References
Ref 529618J Med Chem. 2008 Aug 28;51(16):4858-61. Epub 2008 Jul 30.Discovery of (R)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxamide (BMS-694153): a potent antagonist of the human calcitonin gene-related peptide receptor for migraine with rapid and efficient intranasal exposure.
Ref 529618J Med Chem. 2008 Aug 28;51(16):4858-61. Epub 2008 Jul 30.Discovery of (R)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxamide (BMS-694153): a potent antagonist of the human calcitonin gene-related peptide receptor for migraine with rapid and efficient intranasal exposure.

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