| BioID | bio2365 |
|---|
| Name | SIPOGLITAZAR |
|---|
| ChEMBL ID | CHEMBL3526439 |
|---|
| Molecular Formula | C25H25N3O4S |
|---|
| Molecular Weight | 463.56 |
|---|
| Molecular Weight (Monoisotopic) | 463.1566 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SIPOGLITAZAR|TAK-654 |
|---|
| Smiles | CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O |
|---|
| Inchi | InChI=1S/C25H25N3O4S/c1-2-31-24-20(10-13-23(29)30)15-28(27-24)14-18-8-11-22(12-9-18)32-16-21-17-33-25(26-21)19-6-4-3-5-7-19/h3-9,11-12,15,17H,2,10,13-14,16H2,1H3,(H,29,30) |
|---|
| Inchi Key | SRFCAWATPLCLMG-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -1.59 |
|---|
| Records Key | ['SIPOGLITAZAR', '[14C]Sipoglitazar', 'Sipoglitazar'] |
|---|
| Records Name | ['SIPOGLITAZAR', '[14C]-3-[3-ethoxy-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid', '3-[3-ethoxy-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
