| BioID | bio2584 |
|---|
| Name | SAPRISARTAN |
|---|
| ChEMBL ID | CHEMBL305544 |
|---|
| Molecular Formula | C25H22BrF3N4O4S |
|---|
| Molecular Weight | 611.44 |
|---|
| Molecular Weight (Monoisotopic) | 610.0497 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GR-138950|SAPRISARTAN |
|---|
| Smiles | CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1 |
|---|
| Inchi | InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34) |
|---|
| Inchi Key | DUEWVPTZCSAMNB-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 22.0 |
|---|
| Np Likeness Score | -0.95 |
|---|
| Records Key | ['GR-138950', 'GR-138950', '25, GR-138950', '3'] |
|---|
| Records Name | ['3-[3-Bromo-2-(2-trifluoromethanesulfonylamino-phenyl)-benzofuran-5-ylmethyl]-5-cyclopropyl-2-ethyl-3H-imidazole-4-carboxylic acid amide', '3-[3-Bromo-2-(2-trifluoromethanesulfonylamino-phenyl)-benzofuran-5-ylmethyl]-5-cyclopropyl-2-ethyl-3H-imidazole-4-carboxylic acid amide', '1-((3-bromo-2-(2-(trifluoromethylsulfonamido)phenyl)benzofuran-6-yl)methyl)-4-cyclopropyl-2-ethyl-1H-imidazole-5-carboxamide', '3-[3-Bromo-2-(2-trifluoromethanesulfonylamino-phenyl)-benzofuran-5-ylmethyl]-5-cyclopropyl-2-ethyl-3H-imidazole-4-carboxylic acid amide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
