| BioID | bio2758 |
|---|
| Name | ORFORGLIPRON |
|---|
| ChEMBL ID | CHEMBL4446782 |
|---|
| Molecular Formula | C48H48F2N10O5 |
|---|
| Molecular Weight | 882.97 |
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| Molecular Weight (Monoisotopic) | 882.3777 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LY-3502970|LY3502970|ORFORGLIPRON |
|---|
| Smiles | Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)[C@H](C)N(C(=O)c2cc4cc([C@H]5CCOC(C)(C)C5)ccc4n2[C@@]2(c4noc(=O)[nH]4)C[C@@H]2C)CC3)cc(C)c1F |
|---|
| Inchi | InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1 |
|---|
| Inchi Key | USUWIEBBBWHKNI-KHIFEHGGSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -0.76 |
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| Records Key | ['8', 'ORFORGLIPRON', 'ORFORGLIPRON', 'ORFORGLIPRON'] |
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| Records Name | ['(R)-3-((1S,2S)-1-(5-((S)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-((S)-3-(3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-1-yl)-2-methylcyclopropyl)-1,2,4-oxadiazolidin-5-one', 'ORFORGLIPRON', 'ORFORGLIPRON', 'ORFORGLIPRON'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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