| BioID | bio2115 |
|---|
| Name | CAREBASTINE |
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| ChEMBL ID | CHEMBL67654 |
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| Molecular Formula | C32H37NO4 |
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| Molecular Weight | 499.65 |
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| Molecular Weight (Monoisotopic) | 499.2723 |
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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 | CAREBASTINA|CAREBASTINE|Carebastine |
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| Smiles | CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 |
|---|
| Inchi | InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36) |
|---|
| Inchi Key | XGHOVGYJHWQGCC-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 6.0 |
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| Bioactivities | 13.0 |
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| Np Likeness Score | -0.47 |
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| Records Key | ['64 (carebastine)', 'CAREBASTINE', 'carebastine', 'Carebastine脢', 'Carebastine', 'Carebastine脗', 'Carebastine', 'CAREBASTINE', 'Carebastine'] |
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| Records Name | ['2-{4-[4-(4-Benzhydryloxy-piperidin-1-yl)-butyryl]-phenyl}-2-methyl-propionic acid', 'CAREBASTINE', '2-{4-[4-(4-Benzhydryloxy-piperidin-1-yl)-butyryl]-phenyl}-2-methyl-propionic acid', 'Carebastine脢', 'Carebastine', 'Carebastine脗', 'Carebastine', 'CAREBASTINE', 'Carebastine'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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