Bioactive Compound Details
| BioID | bio2067 |
|---|---|
| Name | DARGLITAZONE SODIUM |
| ChEMBL ID | CHEMBL2106162 |
| Molecular Formula | C23H19N2NaO4S |
| Molecular Weight | 442.47 |
| Molecular Weight (Monoisotopic) | 420.1144 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | CP-86,325-2|CP-86325-2|DARGLITAZONE SODIUM |
| Smiles | Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)[N-]C2=O)cc1.[Na+] |
| Inchi | InChI=1S/C23H20N2O4S.Na/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20;/h2-10,20H,11-13H2,1H3,(H,25,27,28);/q;+1/p-1 |
| Inchi Key | AMCPCELVARAPHJ-UHFFFAOYSA-M |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.7 |
| Records Key | ['DARGLITAZONE SODIUM'] |
| Records Name | ['DARGLITAZONE SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
