| BioID | bio2753 |
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| Name | EDELINONTRINE |
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| ChEMBL ID | CHEMBL2179105 |
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| Molecular Formula | C20H25N7O2 |
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| Molecular Weight | 395.47 |
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| Molecular Weight (Monoisotopic) | 395.207 |
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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 | EDELINONTRINA|EDELINONTRINE|PF-04447943 |
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| Smiles | C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 |
|---|
| Inchi | InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1 |
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| Inchi Key | IWXUVYOOUMLUTQ-CZUORRHYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 21.0 |
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| Bioactivities | 60.0 |
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| Np Likeness Score | -1.28 |
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| Records Key | ['20, PF-04447943', 'PF-04447943', 'EDELINONTRINE', 'PF-04447943', 'PF-04447943', 'PF-04447943', '9a', 'COVC-1211492138', 'EDELINONTRINE', '50', 'PF-04447943', 'PF-04447943'] |
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| Records Name | ['6-[(3S,4S)-4-Methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one', 'PF-04447943', 'EDELINONTRINE', 'PF-04447943', 'PF-04447943', 'PF-04447943', '6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one', 'PF-04447943', 'EDELINONTRINE', '6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one', '6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one', '6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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