| BioID | bio2571 |
|---|
| Name | PRAVADOLINE |
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| ChEMBL ID | CHEMBL13178 |
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| Molecular Formula | C23H26N2O3 |
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| Molecular Weight | 378.47 |
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| Molecular Weight (Monoisotopic) | 378.1943 |
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| Type | Small molecule |
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| Max Phase | Unknown |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | PRAVADOLINA|PRAVADOLINE |
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| Smiles | COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1 |
|---|
| Inchi | InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3 |
|---|
| Inchi Key | MEUQWHZOUDZXHH-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 17.0 |
|---|
| Bioactivities | 62.0 |
|---|
| Np Likeness Score | -1.07 |
|---|
| Records Key | ['(s-cis) 1a', '1', '3', 'Pravadoline', 'pravadoline', '1a (Pravadoline)', '3, pravadoline', 'SID29216077', '1 (Pravadoline)', 'SID170466117', 'SID144205338', 'SID124892267', 'SID137275810', '1-9g', 'pravadoline', 'pravadoline', 'Pravadoline脗', '21', 'PRAVADOLINE', 'Pravadoline脢', 'COVC-2825478931', 'pravadoline'] |
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| Records Name | ['(s-cis)-(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', '(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', '(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', '(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', '(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', '(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', 'pravadoline', 'SID29216077', '(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', 'SID170466117', 'SID144205338', 'SID124892267', 'SID137275810', 'Pravadoline', 'pravadoline', 'pravadoline', 'Pravadoline脗', '(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone', 'PRAVADOLINE', 'Pravadoline脢', 'PRAVADOLINE', 'pravadoline'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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