Bioactive Compound Details
| BioID | bio2118 |
|---|---|
| Name | EDAGLITAZONE SODIUM |
| ChEMBL ID | CHEMBL3989761 |
| Molecular Formula | C24H19N2NaO4S2 |
| Molecular Weight | 486.55 |
| Molecular Weight (Monoisotopic) | 464.0864 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | EDAGLITAZONE SODIUM|R02052349-602|RO2052349-602 |
| Smiles | Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)[N-]C2=O)c2sccc12.[Na+] |
| Inchi | InChI=1S/C24H20N2O4S2.Na/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);/q;+1/p-1 |
| Inchi Key | SIIGOZKPQPCNLP-UHFFFAOYSA-M |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.08 |
| Records Key | ['EDAGLITAZONE SODIUM'] |
| Records Name | ['EDAGLITAZONE SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
