| BioID | bio3194 |
|---|
| Name | ALEGLITAZAR |
|---|
| ChEMBL ID | CHEMBL519504 |
|---|
| Molecular Formula | C24H23NO5S |
|---|
| Molecular Weight | 437.52 |
|---|
| Molecular Weight (Monoisotopic) | 437.1297 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ALEGLITAZAR|Aleglitazar|R-1439|R1439|RO-0728804|RO0728804|Ro-0728804 |
|---|
| Smiles | CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O |
|---|
| Inchi | InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1 |
|---|
| Inchi Key | DAYKLWSKQJBGCS-NRFANRHFSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 25.0 |
|---|
| Np Likeness Score | -0.83 |
|---|
| Records Key | ['(S)-2Aa', 'ALEGLITAZAR', 'ALEGLITAZAR'] |
|---|
| Records Name | ['Aleglitazar', 'ALEGLITAZAR', 'ALEGLITAZAR'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
