| BioID | bio2363 |
|---|
| Name | TAPRENEPAG |
|---|
| ChEMBL ID | CHEMBL2107783 |
|---|
| Molecular Formula | C24H22N4O5S |
|---|
| Molecular Weight | 478.53 |
|---|
| Molecular Weight (Monoisotopic) | 478.1311 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | TAPRENEPAG |
|---|
| Smiles | O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1 |
|---|
| Inchi | InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30) |
|---|
| Inchi Key | MFFBXYNKZHTCEY-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 76.0 |
|---|
| Bioactivities | 162.0 |
|---|
| Np Likeness Score | -2.14 |
|---|
| Records Key | ['TAPRENEPAG', 'TAPRENEPAG', 'TAPRENEPAG', 'TAPRENEPAG', 'Taprenepag', '8, CP-544326', 'Taprenepag', 'Taprenepag', 'EUB0000485a', 'TAPRENEPAG', 'EUB0000485a', 'EUB0000485a', 'EUB0000485a'] |
|---|
| Records Name | ['TAPRENEPAG', 'TAPRENEPAG', 'TAPRENEPAG', 'TAPRENEPAG', 'Taprenepag', '2-(3-((N-(4-(1H-pyrazol-1-yl)benzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetic acid', 'Taprenepag', 'Taprenepag', 'TAPRENEPAG', 'TAPRENEPAG', 'TAPRENEPAG', 'TAPRENEPAG', 'TAPRENEPAG'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
