| BioID | bio2914 |
|---|
| Name | EBASTINE |
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| ChEMBL ID | CHEMBL305660 |
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| Molecular Formula | C32H39NO2 |
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| Molecular Weight | 469.67 |
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| Molecular Weight (Monoisotopic) | 469.2981 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | EBASTINA|EBASTINE|LAS W-090|LAS-W-090|RP 64305|RP-64305 |
|---|
| Smiles | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 |
|---|
| Inchi | InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3 |
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| Inchi Key | MJJALKDDGIKVBE-UHFFFAOYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 169.0 |
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| Bioactivities | 894.0 |
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| Np Likeness Score | -0.64 |
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| Records Key | ['EBASTINE', '77 (ebastine)', 'EBASTINE', 'ebastine', 'SID144205778', 'SID26758025', 'Ebastine', 'Ebastine', 'SID170465995', '62, Table1', 'ebastine', 'Ebastine', '8', 'Ebastine', 'E0925', 'Ebastine', 'Ebastine', 'SID90340626', 'Ebastine', 'EBASTINE', 'Ebastine', 'EBASTINE', 'Ebastine', 'EBASTINE', 'Ebastine', 'EBASTINE', 'Ebastine', 'COVC-2288359776', 'ebastine', '17'] |
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| Records Name | ['EBASTINE', '4-(4-Benzhydryloxy-piperidin-1-yl)-1-(4-tert-butyl-phenyl)-butan-1-one', 'Ebastine', '4-(4-Benzhydryloxy-piperidin-1-yl)-1-(4-tert-butyl-phenyl)-butan-1-one', 'SID144205778', 'SID26758025', '4-(4-Benzhydryloxy-piperidin-1-yl)-1-(4-tert-butyl-phenyl)-butan-1-one', '4-(4-Benzhydryloxy-piperidin-1-yl)-1-(4-tert-butyl-phenyl)-butan-1-one', 'SID170465995', '4-(4-(benzhydryloxy)piperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one', '4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one', 'Ebastine', 'Ebastine', 'Ebastine', 'Ebastine', 'Ebastine', 'Ebastine', 'SID90340626', 'Ebastine', 'EBASTINE', 'Ebastine', 'EBASTINE', 'Ebastine', 'EBASTINE', 'Ebastine', 'EBASTINE', 'Ebastine', 'EBASTINE', 'ebastine', '4-(4-(benzhydryloxy)piperidin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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