Drug Information
Drug General Information | |||||
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Drug ID |
D05MSG
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Former ID |
DNC008664
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Drug Name |
BMS-694153
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Drug Type |
Small molecular drug
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Indication | Migraine [ICD9: 346; ICD10:G43] | Investigative | [529618] | ||
Structure |
Download2D MOL |
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Formula |
C35H45FN8O3
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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
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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
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InChIKey |
HBOINTMVWRSZQS-SSEXGKCCSA-N
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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] | ||
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 529618 | J 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 529618 | J 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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