| BioID | bio3206 |
|---|
| Name | CLAZOSENTAN |
|---|
| ChEMBL ID | CHEMBL109648 |
|---|
| Molecular Formula | C25H23N9O6S |
|---|
| Molecular Weight | 577.58 |
|---|
| Molecular Weight (Monoisotopic) | 577.1492 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACT-108475|AXV-034|AXV-034343|AXV-343434|CLAZOSENTAN|Clazosentan|Pivlaz|RO-61-1790|Ro 61-1790|VML-588 |
|---|
| Smiles | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO |
|---|
| Inchi | InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34) |
|---|
| Inchi Key | LFWCJABOXHSRGC-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | -1.3 |
|---|
| Records Key | ['22', 'CLAZOSENTAN', 'clazosentan', '24', 'CLAZOSENTAN'] |
|---|
| Records Name | ['5-Methyl-pyridine-2-sulfonic acid {6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-2-[2-(2H-tetrazol-5-yl)-pyridin-4-yl]-pyrimidin-4-yl}-amide', 'CLAZOSENTAN', 'clazosentan', 'Clazosentan', 'CLAZOSENTAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
