| BioID | bio1923 |
|---|
| Name | AZATADINE MALEATE |
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| ChEMBL ID | CHEMBL3544908 |
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| Molecular Formula | C28H30N2O8 |
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| Molecular Weight | 522.55 |
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| Molecular Weight (Monoisotopic) | 290.1783 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | AZATADINE DIMALEATE|AZATADINE MALEATE|LERGOCIL|NSC-759874|OPTIMINE|SCH 10649|SCH-10649 |
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| Smiles | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O |
|---|
| Inchi | InChI=1S/C20H22N2.2C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
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| Inchi Key | SGHXFFAHXTZRQM-SPIKMXEPSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 2.0 |
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| Bioactivities | 4.0 |
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| Np Likeness Score | -0.22 |
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| Records Key | ['AZATADINE MALEATE', 'Azatadine Maleate', 'Azatadine Maleate', 'AZATADINE MALEATE', 'AZATADINE MALEATE', 'Azatadine Maleate', 'Azatadine maleate'] |
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| Records Name | ['AZATADINE MALEATE', 'Azatadine Maleate', 'Azatadine Maleate', 'AZATADINE MALEATE', 'AZATADINE MALEATE', 'Azatadine Maleate', 'Azatadine maleate'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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