Drug Information
| Drug General Information | Top | |||
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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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| Synonyms |
BMS-694153; UNII-69MB5VHL5J; 69MB5VHL5J; CHEMBL450668; (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; 1050381-35-5; BDBM50268484; 1-Piperidinecarboxamide, N-((1R)-2-(1,4'-bipiperidin)-1'-yl-1-((7-methyl-1H-indazol-5-yl)methyl)-2-oxoethyl)-4-(8-fluoro-1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-
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| Drug Type |
Small molecular drug
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| Indication | Migraine [ICD-11: 8A80; ICD-10: G43, G43.9; ICD-9: 346] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C35H45FN8O3
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| Canonical SMILES |
CC1=CC(=CC2=C1NN=C2)CC(C(=O)N3CCC(CC3)N4CCCCC4)NC(=O)N5CCC(CC5)N6CC7=C(C(=CC=C7)F)NC6=O
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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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| CAS Number |
CAS 1050381-35-5
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcitonin gene-related peptide receptor (CGRPR) | Target Info | Inhibitor | [1] |
| Debrisoquine 4-hydroxylase (CYP2D6) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Metabolism of xenobiotics by cytochrome P450 | |||
| Drug metabolism - cytochrome P450 | ||||
| Serotonergic synapse | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Reactome | Xenobiotics | |||
| 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 Metabolism | ||||
| GPCRs, Class B Secretin-like | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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... J Med Chem. 2008 Aug 28;51(16):4858-61. | |||
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