| BioID | bio2944 |
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| Name | TELCAGEPANT |
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| ChEMBL ID | CHEMBL236593 |
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| Molecular Formula | C26H27F5N6O3 |
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| Molecular Weight | 566.53 |
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| Molecular Weight (Monoisotopic) | 566.2065 |
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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-0974|MK0974|TELCAGEPANT|Telcagepant |
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| Smiles | O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 |
|---|
| Inchi | InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1 |
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| Inchi Key | CGDZXLJGHVKVIE-DNVCBOLYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 44.0 |
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| Bioactivities | 237.0 |
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| Np Likeness Score | -1.42 |
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| Records Key | ['MK-0974', '2, MK-0974', '38, MK-0974', 'MK-0974', 'MK-0974', '2', '1, MK-0974, telcagepant', 'MK-0974', 'Telcagepant', '[3H]2', 'TELCAGEPANT', 'TELCAGEPANT', '2; MK-0974', '2', 'TELCAGEPANT', 'Telcagepant', 'TELCAGEPANT', 'TELCAGEPANT', 'Telcagepant', 'COVC-3370539893', 'Telcagepant', 'EUB0000790a', 'EUB0000790a', 'EUB0000790a'] |
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| Records Name | ['telcagepant', 'Telcagepant', 'N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide', 'Telcagepant', 'Telcagepant', 'Telcagepant', '[N-[(3R,6S)-6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide]', 'Telcagepant', 'Telcagepant', '[3H]telcagepant', 'TELCAGEPANT', 'TELCAGEPANT', 'Telcagepant', 'Telcagepant', 'TELCAGEPANT', 'Telcagepant', 'TELCAGEPANT', 'TELCAGEPANT', 'Telcagepant', 'TELCAGEPANT', 'Telcagepant', 'TELCAGEPANT', 'TELCAGEPANT', 'TELCAGEPANT'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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