| BioID | bio2467 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL255484 |
|---|
| Molecular Formula | C28H26N2O8 |
|---|
| Molecular Weight | 518.52 |
|---|
| Molecular Weight (Monoisotopic) | 518.1689 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Hydroxy-O-demethyl muraglitazar |
|---|
| Smiles | Cc1oc(-c2ccccc2)nc1C(O)COc1ccc(CN(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1 |
|---|
| Inchi | InChI=1S/C28H26N2O8/c1-18-26(29-27(37-18)20-5-3-2-4-6-20)24(32)17-36-22-11-7-19(8-12-22)15-30(16-25(33)34)28(35)38-23-13-9-21(31)10-14-23/h2-14,24,31-32H,15-17H2,1H3,(H,33,34) |
|---|
| Inchi Key | GOYNBPQTZHYOBY-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.63 |
|---|
| Records Key | ['M7, 9-Hydroxy-O-demethyl muraglitazar'] |
|---|
| Records Name | ['[{4-[2-Hydroxy-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-(4-hydroxy-phenoxycarbonyl)-amino]-acetic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
