| BioID | bio2404 |
|---|
| Name | EDONENTAN |
|---|
| ChEMBL ID | CHEMBL383581 |
|---|
| Molecular Formula | C28H32N4O5S |
|---|
| Molecular Weight | 536.65 |
|---|
| Molecular Weight (Monoisotopic) | 536.2093 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(C)(C)C)c1C |
|---|
| Inchi | InChI=1S/C28H32N4O5S/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) |
|---|
| Inchi Key | ORJRYNKVKJAJPY-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -1.19 |
|---|
| Records Key | ['91'] |
|---|
| Records Name | [N-[2'-(4,5-Dimethyl-isoxazol-3-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-ylmethyl]-3,3,N-trimethyl-butyramide"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
