| BioID | bio2934 |
|---|
| Name | CLAZOSENTAN SODIUM |
|---|
| ChEMBL ID | CHEMBL5314590 |
|---|
| Molecular Formula | C25H21N9Na2O6S |
|---|
| Molecular Weight | 621.55 |
|---|
| Molecular Weight (Monoisotopic) | 577.1492 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACT-108475A|CLAZOSENTAN DISODIUM SALT|CLAZOSENTAN SODIUM |
|---|
| Smiles | COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[n-]3)c2)nc1OCCO.[Na+].[Na+] |
|---|
| Inchi | InChI=1S/C25H21N9O6S.2Na/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;;/q-2;2*+1 |
|---|
| Inchi Key | PZNSONUYVNYXJZ-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.3 |
|---|
| Records Key | ['CLAZOSENTAN SODIUM'] |
|---|
| Records Name | ['CLAZOSENTAN SODIUM'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
