| BioID | bio2719 |
|---|
| Name | VERCIRNON |
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| ChEMBL ID | CHEMBL2178578 |
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| Molecular Formula | C22H21ClN2O4S |
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| Molecular Weight | 444.94 |
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| Molecular Weight (Monoisotopic) | 444.0911 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | CCX-282-B|CCX282|GSK-1605786|GSK1605786|VERCIRNON|Vercirnon|Verecimon|vercirnon |
|---|
| Smiles | CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1 |
|---|
| Inchi | InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3 |
|---|
| Inchi Key | JRWROCIMSDXGOZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 39.0 |
|---|
| Bioactivities | 1042.0 |
|---|
| Np Likeness Score | -1.69 |
|---|
| Records Key | ['Table 1,R10C1', '212', 'Vercirnon', '29, CCX282', '1', 'Vercirnon', '25; CCX282-B, GSK-1605786', 'VERCIRNON', 'VERCIRNON', 'Table 1,19', 'VERCIRNON', 'CCX-282', 'Vercirnon', 'Vercirnon', 'COVC-0687664300', 'Vercirnon', 'EUB0000802a', 'EUB0000802a', 'EUB0000802a', '30', 'EUB0000802a'] |
|---|
| Records Name | ['4-tert-Butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]benzenesulfonamide', 'Vercirnon', 'Vercirnon', 'Verecimon', 'N-{4-chloro-2-[(1-oxidopyridin-4-yl)carbonyl]phenyl}-4-(1,1-dimethylethyl)benzenesulfonamide', 'Vercirnon', 'Vercirnon', 'VERCIRNON', 'VERCIRNON', '4-tert-Butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]benzenesulfonamide', 'VERCIRNON', '4-(2-(4-tert-butylphenylsulfonamido)-5-chlorobenzoyl)pyridine 1-oxide', 'Vercirnon', 'Vercirnon', 'VERCIRNON SODIUM', 'Vercirnon', 'VERCIRNON', 'VERCIRNON', 'VERCIRNON', 'Vercirnon', 'VERCIRNON'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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