| BioID | bio3082 |
|---|
| Name | EDAGLITAZONE |
|---|
| ChEMBL ID | CHEMBL3990804 |
|---|
| Molecular Formula | C24H20N2O4S2 |
|---|
| Molecular Weight | 464.57 |
|---|
| Molecular Weight (Monoisotopic) | 464.0864 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BM-131258|EDAGLITAZONA|EDAGLITAZONE|R-483 |
|---|
| Smiles | Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12 |
|---|
| Inchi | InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28) |
|---|
| Inchi Key | HAAXAFNSRADSMK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.08 |
|---|
| Records Key | ['edaglitazone', 'EDAGLITAZONE', 'edaglitazone', 'edaglitazone', 'EDAGLITAZONE'] |
|---|
| Records Name | ['edaglitazone', 'EDAGLITAZONE', 'edaglitazone', 'edaglitazone', 'EDAGLITAZONE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
