| BioID | bio2400 |
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| Name | ANCRIVIROC |
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| ChEMBL ID | CHEMBL78535 |
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| Molecular Formula | C28H37BrN4O3 |
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| Molecular Weight | 557.53 |
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| Molecular Weight (Monoisotopic) | 556.2049 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | ANCRIVIROC|SCH-351125|SCH351125 |
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| Smiles | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 |
|---|
| Inchi | InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+ |
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| Inchi Key | ZGDKVKUWTCGYOA-URGPHPNLSA-N |
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| Molecular Species | BASE |
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| Targets | 14.0 |
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| Bioactivities | 53.0 |
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| Np Likeness Score | -0.46 |
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| Records Key | ['38', '1e', '1', '1', '1', 'ANCRIVIROC', '21, SCH-C, SCH-351125', '3118', '18; SCH-C'] |
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| Records Name | [(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone", '4-[5-(4,7-Difluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]-benzoic acid', "{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone", "{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone", "(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone", 'ANCRIVIROC', '3-(4-((4-bromophenyl)(methoxyimino)methyl)-4-methylpiperidine-1-carbonyl)-2,4-dimethylpyridine 1-oxide', None, "3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-methyl-[1,4'-bipiperidine]-1'-carbonyl)-2,4-dimethylpyridine 1-oxide"]" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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