| BioID | bio3269 |
|---|
| Name | LONAPRISAN |
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| ChEMBL ID | CHEMBL146032 |
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| Molecular Formula | C28H29F5O3 |
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| Molecular Weight | 508.53 |
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| Molecular Weight (Monoisotopic) | 508.2037 |
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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 | BAY86-5044|LONAPRISAN|Lonaprisan|ZK 230211|ZK-230211|ZK230211 |
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| Smiles | CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1 |
|---|
| Inchi | InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1 |
|---|
| Inchi Key | VHZPUDNSVGRVMB-RXDLHWJPSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 9.0 |
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| Bioactivities | 22.0 |
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| Np Likeness Score | 1.08 |
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| Records Key | ['ZK-230211', 'LONAPRISAN', 'LONAPRISAN'] |
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| Records Name | ['11-(4-Acetyl-phenyl)-17-hydroxy-13-methyl-17-pentafluoroethyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', 'LONAPRISAN', 'LONAPRISAN'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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