| BioID | bio2775 |
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| Name | BEMESETRON |
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| ChEMBL ID | CHEMBL2107804 |
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| Molecular Formula | C15H17Cl2NO2 |
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| Molecular Weight | 314.21 |
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| Molecular Weight (Monoisotopic) | 313.0636 |
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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 | BEMESETRON|MDL 72,222|MDL-72,222|MDL-72222 |
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| Smiles | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2 |
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| Inchi | InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+ |
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| Inchi Key | MNJNPLVXBISNSX-WDNDVIMCSA-N |
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| Molecular Species | BASE |
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| Targets | 30.0 |
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| Bioactivities | 107.0 |
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| Np Likeness Score | 0.16 |
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| Records Key | ['5', '5, (MDL-72222)', 'MDL-72222', '1, (MDL-72222)', '2', '1', 'MDL-72222', 'MDL 72222', 'MDL-72222', 'MDL-72222(4)', 'MDL-72222', '5', 'SID26751816', '4', 'MDL-72222', 'SID50104509', 'SID50104510', 'MDL-72222', '2j, bemesetron', 'MDL-72222', 'SID90340594', 'SID85231277', 'MDL-72222', 'MDL-72222', 'SID144203844', '5', '1', 'MDL-72222', 'MDl 72222', 'bemesetron', 'BEMESETRON', 'NCGC00024702-02', 'SID170466114', 'MDL 72222', 'BEMESETRON', 'SID104171256', 'MDL 72222', 'Bemesetron脢', 'bemesetron', 'Bemesetron脗', 'COVC-1210422617', 'bemesetron'] |
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| Records Name | ['3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (MDL-72222)', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (MDL-72222)', '[2-(5-Hydroxy-1H-indol-3-yl)-ethyl]-trimethyl-ammonium', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (MDL-72222)', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 'Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (MDL-72222)', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester (MDL-72222)', 'SID26751816', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '(1R,5R)-8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzoate', 'SID50104509', 'SID50104510', '(MDL 72222)3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', 3alpha-(3',5'-dichlorobenzoyloxy)tropane", 'MDL-72222', 'SID90340594', 'SID85231277', 'Bemesetron', '8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate', 'SID144203844', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester', '8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate', 'bemesetron', 'BEMESETRON', '3-Tropanyl-3,5-dichlorobenzoate', 'SID170466114', '(endo)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate', 'BEMESETRON', 'SID104171256', '(endo)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate', 'Bemesetron脢', 'bemesetron', 'Bemesetron脗', 'BEMESETRON', 'bemesetron']" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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