| BioID | bio2970 |
|---|
| Name | ATAMPARIB |
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| ChEMBL ID | CHEMBL5095043 |
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| Molecular Formula | C20H23F6N7O3 |
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| Molecular Weight | 523.44 |
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| Molecular Weight (Monoisotopic) | 523.1767 |
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| Type | Small molecule |
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| Max Phase | Phase 1 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | ATAMPARIB|RBN 2397|RBN-2397|RBN2397 |
|---|
| Smiles | C[C@@H](COCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F |
|---|
| Inchi | InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1 |
|---|
| Inchi Key | UQZCQKXJAXKZQH-LBPRGKRZSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 31.0 |
|---|
| Bioactivities | 82.0 |
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| Np Likeness Score | -1.6 |
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| Records Key | ['ATAMPARIB', 'ATAMPARIB', '76; RBN-2397', 'RBN-2397', 'RBN2397', 'RBN-2397', 'EUB0001099a', 'EUB0001099a', 'RBN2397'] |
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| Records Name | ['ATAMPARIB', 'ATAMPARIB', '(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one', '(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one', '(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one', '(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one', 'RBN-2397', 'RBN-2397', '(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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