Bioactive Compound Details
| BioID | bio3088 |
|---|---|
| Name | LOBEGLITAZONE SULFATE |
| ChEMBL ID | CHEMBL3780740 |
| Molecular Formula | C24H26N4O9S2 |
| Molecular Weight | 578.63 |
| Molecular Weight (Monoisotopic) | 480.1467 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | CKD-501|LOBEGLITAZONE SULFATE |
| Smiles | COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1.O=S(=O)(O)O |
| Inchi | InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4) |
| Inchi Key | IFBYQAMJTBOBHB-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.73 |
| Records Key | ['LOBEGLITAZONE SULFATE', 'XVIII; Duvie'] |
| Records Name | ['LOBEGLITAZONE SULFATE', 'Lobeglitazone sulfate'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
