| BioID | bio2883 |
|---|
| Name | DANUGLIPRON |
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| ChEMBL ID | CHEMBL4518483 |
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| Molecular Formula | C31H30FN5O4 |
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| Molecular Weight | 555.61 |
|---|
| Molecular Weight (Monoisotopic) | 555.2282 |
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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) |
|---|
| Synonyms | DANUGLIPRON|PF-06882961 |
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| Smiles | N#Cc1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1 |
|---|
| Inchi | InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 |
|---|
| Inchi Key | HYBAKUMPISVZQP-DEOSSOPVSA-N |
|---|
| Molecular Species | ACID |
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| Targets | 9.0 |
|---|
| Bioactivities | 83.0 |
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| Np Likeness Score | -1.63 |
|---|
| Records Key | ['DANUGLIPRON', '58; PF-06882961', 'DANUGLIPRON', '6', 'Danuglipron', '1; PF-06882961'] |
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| Records Name | ['DANUGLIPRON', '2-[[4-[6-[(4-cyano-2-fluoro-phenyl)methoxy]-2-pyridyl]-1-piperidyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid', 'DANUGLIPRON', 'Danuglipron', 'Danuglipron', 'Danuglipron'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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