Bioactive Compound Details
| BioID | bio2382 |
|---|---|
| Name | DONETIDINE |
| ChEMBL ID | CHEMBL2104272 |
| Molecular Formula | C20H25N5O3S |
| Molecular Weight | 415.52 |
| Molecular Weight (Monoisotopic) | 415.1678 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | DONETIDINA|DONETIDINE|SK&F 93574 |
| Smiles | CN(C)Cc1ccc(CSCCNc2nc(=O)c(Cc3cc[nH]c(=O)c3)c[nH]2)o1 |
| Inchi | InChI=1S/C20H25N5O3S/c1-25(2)12-16-3-4-17(28-16)13-29-8-7-22-20-23-11-15(19(27)24-20)9-14-5-6-21-18(26)10-14/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,21,26)(H2,22,23,24,27) |
| Inchi Key | MURUHMTVTKOWBY-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.04 |
| Records Key | ['DONETIDINE'] |
| Records Name | ['DONETIDINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
