| BioID | bio2579 |
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| Name | SIRAMESINE |
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| ChEMBL ID | CHEMBL61479 |
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| Molecular Formula | C30H31FN2O |
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| Molecular Weight | 454.59 |
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| Molecular Weight (Monoisotopic) | 454.242 |
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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 | SIRAMESINA|SIRAMESINE|Siramesine |
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| Smiles | Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1 |
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| Inchi | InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2 |
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| Inchi Key | XWAONOGAGZNUSF-UHFFFAOYSA-N |
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| Molecular Species | BASE |
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| Targets | 23.0 |
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| Bioactivities | 75.0 |
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| Np Likeness Score | -0.7 |
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| Records Key | ['14f', 'Lu-28-179', 'Lu-28-179', '3', '6', '18, Lu 28-179', 'SIRAMESINE', 'SIRAMESINE (HYDROCHLORIDE)', 'Siramesine', 'siramesine', 'Siramesine, Lu28-179', '2', 'Lu28-179', 'Siramesine (hydrochloride)', 'Siramesine', 'Siramesine (hydrochloride)', 'Siramesine (hydrochloride)', 'Siramesine', 'Siramesine', '1', 'Srms', 'Siramesine', 'Siramesine', '1'] |
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| Records Name | [1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro[1,3-dihydroisobenzofuran-1,4'-(hexahydropyridine)]", 'Siramesine', "1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro[1,3-dihydroisobenzofuran-1,4'-(hexahydropyridine)] (Lu 28-179)", 'Lu 28-179', 'Siramesine', 'Siramesine', 'SIRAMESINE', 'SIRAMESINE (HYDROCHLORIDE)', 'Siramesine', 'siramesine', 'Siramesine', 'Siramesine', 'Siramesine', 'Siramesine (hydrochloride)', 'Siramesine', 'Siramesine (hydrochloride)', 'Siramesine (hydrochloride)', 'Siramesine', 'Siramesine', 'Siramesine', 'Siramesine', 'Siramesine', 'Siramesine', 'Siramesine']" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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