Bioactive Compound Details
| BioID | bio2429 |
|---|---|
| Name | OSUTIDINE |
| ChEMBL ID | CHEMBL1742409 |
| Molecular Formula | C19H28N4O5S2 |
| Molecular Weight | 456.59 |
| Molecular Weight (Monoisotopic) | 456.1501 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | OSUTIDINA|OSUTIDINE |
| Smiles | CNCc1ccc(CSCCN/C(=N/S(C)(=O)=O)NCC(O)c2ccc(O)cc2)o1 |
| Inchi | InChI=1S/C19H28N4O5S2/c1-20-11-16-7-8-17(28-16)13-29-10-9-21-19(23-30(2,26)27)22-12-18(25)14-3-5-15(24)6-4-14/h3-8,18,20,24-25H,9-13H2,1-2H3,(H2,21,22,23) |
| Inchi Key | GZPOYVTZKHVRHE-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.82 |
| Records Key | ['OSUTIDINE'] |
| Records Name | ['OSUTIDINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
