Bioactive Compound Details
| BioID | bio2074 |
|---|---|
| Name | SIPAGLADENANT |
| ChEMBL ID | CHEMBL5314441 |
| Molecular Formula | C20H19N3O4S |
| Molecular Weight | 397.46 |
| Molecular Weight (Monoisotopic) | 397.1096 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | SIPAGLADENANT |
| Smiles | Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1 |
| Inchi | InChI=1S/C20H19N3O4S/c1-12-4-5-14(11-21-12)19(25)23-20-22-16(15-3-2-8-27-15)18(28-20)17(24)13-6-9-26-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,23,25) |
| Inchi Key | KMFLQPJJHQNKKF-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.76 |
| Records Key | ['SIPAGLADENANT'] |
| Records Name | ['SIPAGLADENANT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
