| BioID | bio3073 |
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| Name | BOSENTAN |
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| ChEMBL ID | CHEMBL957 |
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| Molecular Formula | C27H29N5O6S |
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| Molecular Weight | 551.63 |
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| Molecular Weight (Monoisotopic) | 551.1839 |
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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 | ANHYDROUS BOSENTAN|BOSENTAN|BOSENTAN (AS MONOHYDRATE)|BOSENTAN ANHYDROUS|BOSENTAN HYDRATE|BOSENTAN MONOHYDRATE|RO 47-0203/029|RO-47-0203-029|RO-470203029|Stayveer|Tracleer |
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| Smiles | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO |
|---|
| Inchi | InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) |
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| Inchi Key | GJPICJJJRGTNOD-UHFFFAOYSA-N |
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| Molecular Species | ACID |
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| Targets | 119.0 |
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| Bioactivities | 329.0 |
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| Np Likeness Score | -1.01 |
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| Records Key | ['Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', '1a', 'Bosentan', 'Bosentan', '16, Ro-470203', 'bosentan', 'Bosentan 1', '013, bosentan', 'Bosentan', 'Bosentan', 'BOSENTAN', 'BOSENTAN', 'SID144205997', 'Bosentan', 'Bosentan', 'SID50112694', '707', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', '1', 'BOSENTAN', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', '210', '6', 'Bosentan', 'bosentan', '2 (Bosentan)', 'BOSENTAN', 'BOSENTAN HYDRATE', 'Bosentan', 'BOSENTAN', 'COVC-0673321415', 'SID170465245', 'BOSENTAN', 'BOSENTAN', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', '127', 'BOSENTAN', 'Bosentan Hydrate', '2; RO470203; Tracleer', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan Hydrate', '1', 'Bosentan Hydrate', 'Bosentan', 'bosentan', '19', '25', 'bosentan', 'BOSENTAN', 'BA1001050'] |
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| Records Name | ['Bosentan', N-[6-(2-Hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-4-isobutyl-benzenesulfonamide", 'Bosentan', "4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide", "4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide", "2-[6-(4-tert-Butyl-benzenesulfonylmethyl)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yloxy]-ethanol", "4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide", "4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide", 'bosentan', "4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide", '4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl)benzenesulfonamide', 'Bosentan', 'Bosentan', 'BOSENTAN', 'BOSENTAN', 'SID144205997', 'Bosentan', 'Bosentan', 'SID50112694', None, 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'BOSENTAN', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'bosentan', "4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide", 'BOSENTAN', 'BOSENTAN HYDRATE', 'Bosentan', 'BOSENTAN', 'BOSENTAN', 'SID170465245', 'BOSENTAN', 'BOSENTAN', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'BOSENTAN', 'Bosentan Hydrate', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan', 'Bosentan Hydrate', 'Bosentan', 'Bosentan Hydrate', 'Bosentan', 'bosentan', 'Bosentan', 'Bosentan', 'bosentan', 'BOSENTAN', 'BOSENTAN']" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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