| BioID | bio2683 |
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| Name | TIOTIDINE |
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| ChEMBL ID | CHEMBL269646 |
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| Molecular Formula | C10H16N8S2 |
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| Molecular Weight | 312.43 |
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| Molecular Weight (Monoisotopic) | 312.0939 |
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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 | ICI 125,211|ICI-125,211|ICI-125211|TIOTIDINA|TIOTIDINE|Tiotidine |
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| Smiles | C/N=C(/NC#N)NCCSCc1csc(NC(=N)N)n1 |
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| Inchi | InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18) |
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| Inchi Key | YDDXVAXDYKBWDX-UHFFFAOYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 49.0 |
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| Bioactivities | 116.0 |
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| Np Likeness Score | -2.27 |
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| Records Key | ['10', 'tiotidine', '10', '10 (tiotidine)', 'Tiotidine', 'Tiotidine', '115 (tiotidine)', 'SID11113722', 'SID26756614', 'Tiotidine', 'SID170466487', 'tiotidine', 'TIOTIDINE', 'tiotidine', '116 (tiotidinederivative)', 'TIOTIDINE', '25', 'SID144205594', 'Tiotidine', 'Tiotidine', 'tiotidine', 'COVC-1751447827', 'tiotidine', 'EUB0000355a', 'EUB0000355a', 'EUB0000355a'] |
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| Records Name | [N-{4-[2-(N'-Cyano-N''-methyl-guanidino)-ethylsulfanylmethyl]-thiazol-2-yl}-guanidine", '(tiotidine) 4-[2-methylamino(cyanoimino)methylaminoethylsulfanylmethyl]-1,3-thiazol-2-yliminomethanediamine', "N''-cyano-N-{2-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)thio]ethyl}-N'-methylguanidine", "N''-cyano-N-{2-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)thio]ethyl}-N'-methylguanidine (tiotidine)", "N''-cyano-N-{2-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)thio]ethyl}-N'-methylguanidine", 'Tiotidine', '4-[2-cyanoimino(methylamino)methylaminoethylsulfanylmethyl]-1,3-thiazol-2-yliminomethanediamine', 'SID11113722', 'SID26756614', 'N-(2-Diethylamino-ethyl)-5-methanesulfonyl-2-methoxy-benzamide (tiotidine)', 'SID170466487', 'tiotidine', 'TIOTIDINE', 'Tiotidine', '4-[2-cyanoimino(methylamino)methylaminoethylsulfanylmethyl]-1,3-thiazol-2-yliminomethanediamine', 'TIOTIDINE', 'Tiotidine', 'SID144205594', 'Tiotidine', 'Tiotidine', 'tiotidine', 'TIOTIDINE', 'tiotidine', 'TIOTIDINE', 'TIOTIDINE', 'TIOTIDINE']" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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