| BioID | bio3096 |
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| Name | TARANABANT |
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| ChEMBL ID | CHEMBL220360 |
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| Molecular Formula | C27H25ClF3N3O2 |
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| Molecular Weight | 515.96 |
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| Molecular Weight (Monoisotopic) | 515.1587 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | MK-0364|MK-0634|MK0364|TARANABANT|Taranabant |
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| Smiles | C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 |
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| Inchi | InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 |
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| Inchi Key | QLYKJCMUNUWAGO-GAJHUEQPSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 21.0 |
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| Bioactivities | 107.0 |
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| Np Likeness Score | -1.29 |
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| Records Key | ['3, MK-0364', 'TARANABANT', '7, MK-0364', 'MK-0364', '55', 'taranabant,, MK-0364', '4', '2, MK-0634', '1, MK-0364', 'Taranabant', '4, MK-0364', 'MK-0364', '1', '91', 'Taranabant', 'TARANABANT', '3', '2', 'MK-0364', '48, MK-0364', '1', 'TARANABANT', 'TARANABANT', '2', '63', 'Taranabant', 'Taranabant', 'taranabant', 'TARANABANT', 'COVC-3892444363', 'Taranabant'] |
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| Records Name | ['N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide', 'TARANABANT', 'N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide', 'Taranabant', 'N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide', 'N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-methylpyridin-2-yloxy)propanamide', 'N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide', 'N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide', 'Taranbant', 'Taranabant', 'Taranabant', 'taranabant', 'taranabant', 'Taranabant', 'Taranabant', 'TARANABANT', 'taranabant', 'N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide', 'taranabant', 'N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide', 'N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide', 'TARANABANT', 'TARANABANT', 'Taranabant', 'N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-propyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propanamide', 'Taranabant', 'Taranabant', 'Taranabant', 'TARANABANT', 'TARANABANT', 'Taranabant'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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