| BioID | bio1934 |
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| Name | SITAXENTAN |
|---|
| ChEMBL ID | CHEMBL282724 |
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| Molecular Formula | C18H15ClN2O6S2 |
|---|
| Molecular Weight | 454.91 |
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| Molecular Weight (Monoisotopic) | 454.006 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | IPI-1040|SITAXENTAN|SITAXSENTAN|TBC-11251 |
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| Smiles | Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2 |
|---|
| Inchi | InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3 |
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| Inchi Key | PHWXUGHIIBDVKD-UHFFFAOYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 45.0 |
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| Bioactivities | 111.0 |
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| Np Likeness Score | -1.45 |
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| Records Key | ['1', 'Sitaxsentan', '3, Sitaxsentan, TBC11251', '15q', '1', 'SID170465720', 'SITAXENTAN', 'SITAXENTAN', 'SITAXSENTAN', 'Sitaxsentan', 'SITAXENTAN', '85', 'COVC-0679112358', 'SITAXENTAN', 'Sitaxsentan', 'Sitaxsentan', 'SITAXENTAN', 'SITAXENTAN', 'sitaxentan'] |
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| Records Name | ['2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide', '2-{[3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carbonyl]-amino}-5-methyl-benzoic acid isopropyl ester', '2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide (Sitaxsentan)', '2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide', '2-[2-(6-Methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide', 'SID170465720', 'SITAXENTAN', 'SITAXENTAN', 'SITAXSENTAN', 'Sitaxsentan', 'SITAXENTAN', 'Sitaxsentan', 'SITAXENTAN', 'SITAXENTAN', 'Sitaxsentan', 'Sitaxsentan', 'SITAXENTAN', 'SITAXENTAN', 'sitaxentan'] |
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| Withdrawn Flag | True |
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| Orphan | 0 |
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