| BioID | bio3225 |
|---|
| Name | PALIPERIDONE |
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| ChEMBL ID | CHEMBL1621 |
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| Molecular Formula | C23H27FN4O3 |
|---|
| Molecular Weight | 426.49 |
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| Molecular Weight (Monoisotopic) | 426.2067 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | 9-HYDROXYRISPERIDONE|INVEGA|NSC-759623|PALIPERIDONA|PALIPERIDONE|R-76477|RISPERIDONE IMPURITY, 9-HYDROXYRISPERIDONE-|RO-76477|RO76477|TREVICTA|XEPLION |
|---|
| Smiles | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O |
|---|
| Inchi | InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3 |
|---|
| Inchi Key | PMXMIIMHBWHSKN-UHFFFAOYSA-N |
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| Molecular Species | BASE |
|---|
| Targets | 40.0 |
|---|
| Bioactivities | 186.0 |
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| Np Likeness Score | -0.89 |
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| Records Key | ['77', '78, Table 2', 'PALIPERIDONE', 'SID90341688', 'SID170464996', 'Paliperidone', '9-hydroxy risperidone', 'Paliperidone', '9-hydroxyrisperidone', 'paliperidone', 'PAL; 2', 'Paliperidone', 'PALIPERIDONE', 'Paliperidone', 'PALIPERIDONE', 'PALIPERIDONE', 'SID144207158', 'Paliperidone', 'PALIPERIDONE', '9-Hydroxyrisperidone', 'PALIPERIDONE', 'PALIPERIDONE', 'PALIPERIDONE', 'PALIPERIDONE', 'Paliperidone', 'Paliperidone', 'Paliperidone, Cpd 1', 'PALIPERIDONE', 'PALIPERIDONE'] |
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| Records Name | ['3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one', '3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one', 'PALIPERIDONE', 'SID90341688', 'SID170464996', 'Paliperidone', '9-hydroxy risperidone', 'Paliperidone', '9-hydroxyrisperidone', 'paliperidone', 'Paliperidone', 'Paliperidone', 'PALIPERIDONE', 'Paliperidone', 'PALIPERIDONE', 'PALIPERIDONE', 'SID144207158', 'Paliperidone', 'PALIPERIDONE', '9-Hydroxyrisperidone', 'PALIPERIDONE', 'PALIPERIDONE', 'PALIPERIDONE', 'PALIPERIDONE', 'Paliperidone', 'Paliperidone', 'Paliperidone', 'PALIPERIDONE', 'PALIPERIDONE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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