Bioactive Compound Details
| BioID | bio2301 |
|---|---|
| Name | SUNAGREL |
| ChEMBL ID | CHEMBL2104522 |
| Molecular Formula | C25H32N2O2S |
| Molecular Weight | 424.61 |
| Molecular Weight (Monoisotopic) | 424.2184 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | SUNAGREL |
| Smiles | CC(C)Sc1ccc([C@H](O)[C@@H](C)N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 |
| Inchi | InChI=1S/C25H32N2O2S/c1-19(2)30-23-12-10-22(11-13-23)25(29)20(3)26-15-17-27(18-16-26)24(28)14-9-21-7-5-4-6-8-21/h4-14,19-20,25,29H,15-18H2,1-3H3/b14-9+/t20-,25-/m1/s1 |
| Inchi Key | UUHFEOMKFKXLCB-VPBAMMSTSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.65 |
| Records Key | ['SUNAGREL'] |
| Records Name | ['SUNAGREL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
