Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| 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 |
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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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