| BioID | bio2577 |
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| Name | TOMELUKAST |
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| ChEMBL ID | CHEMBL162358 |
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| Molecular Formula | C16H22N4O3 |
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| Molecular Weight | 318.38 |
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| Molecular Weight (Monoisotopic) | 318.1692 |
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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 | LY-171833|LY-171883|LY171883|TOMELUKAST |
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| Smiles | CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O |
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| Inchi | InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20) |
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| Inchi Key | MWYHLEQJTQJHSS-UHFFFAOYSA-N |
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| Molecular Species | ACID |
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| Targets | 49.0 |
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| Bioactivities | 138.0 |
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| Np Likeness Score | -0.6 |
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| Records Key | ['LY-171883', '6 LY-171883', '26', '114 (LY-171883)', 'LY-171833', '29(LY-171883)', 'LY-171883', 'LY-171883', 'LY-171883', 'TOMELUKAST', 'LY-171883', 'LY-171833', 'SID26719670', 'LY-171883', '1a', 'SID50104046', 'tomelukast 0.000001 molar', '5 (LY-171883)', 'SID170466250', 'SID26751500', 'SID26751501', 'SID104171362', 'SID124883314', 'SID124883315', 'SID144204379', 'LY-171883', 'LY-171883', 'LY-171883', 'LY 171883', 'SID144212729', 'LY 171883', 'LY 171883', 'SID855757', 'SAM001246988', 'COVC-3362251045', 'LY 171883'] |
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| Records Name | ['1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone (LY-171883)', '1-{2-Hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone (LY-171883)', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '(LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone (LY-171883)', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone (LY-171883)', 'TOMELUKAST', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', 'SID26719670', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', 'SID50104046', 'tomelukast', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', 'SID170466250', 'SID26751500', 'SID26751501', 'SID104171362', 'SID124883314', 'SID124883315', 'SID144204379', '1-(4-(4-(1H-tetrazol-5-yl)butoxy)-2-hydroxy-3-propylphenyl)ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', '1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone', 'LY 171883', 'SID144212729', 'LY 171883', 'LY 171883', 'SID855757', 'C0164781', 'TOMELUKAST', 'LY 171883'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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