Bioactive Compound Details
| BioID | bio2342 |
|---|---|
| Name | EDONENTAN |
| ChEMBL ID | CHEMBL3989685 |
| Molecular Formula | C28H34N4O6S |
| Molecular Weight | 554.67 |
| Molecular Weight (Monoisotopic) | 536.2093 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BMS-207940-02|EDONENTAN |
| Smiles | Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(C)(C)C)c1C.O |
| Inchi | InChI=1S/C28H32N4O5S.H2O/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5;/h7-15H,16-17H2,1-6H3,(H,30,31);1H2 |
| Inchi Key | VRUJTPHFVRXEPB-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.19 |
| Records Key | ['EDONENTAN'] |
| Records Name | ['EDONENTAN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
