| BioID | bio2085 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL257968 |
|---|
| Molecular Formula | C29H28N2O8 |
|---|
| Molecular Weight | 532.55 |
|---|
| Molecular Weight (Monoisotopic) | 532.1846 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Hydroxy muraglitazar |
|---|
| Smiles | COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCC(O)c3nc(-c4ccccc4)oc3C)cc2)cc1 |
|---|
| Inchi | InChI=1S/C29H28N2O8/c1-19-27(30-28(38-19)21-6-4-3-5-7-21)25(32)18-37-23-10-8-20(9-11-23)16-31(17-26(33)34)29(35)39-24-14-12-22(36-2)13-15-24/h3-15,25,32H,16-18H2,1-2H3,(H,33,34) |
|---|
| Inchi Key | UACPJKHKQTVBSZ-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.74 |
|---|
| Records Key | ['M14, 9-Hydroxy muraglitazar'] |
|---|
| Records Name | ['[{4-[2-Hydroxy-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-(4-methoxy-phenoxycarbonyl)-amino]-acetic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
