Bioactive Compound Details
| BioID | bio2541 |
|---|---|
| Name | DOMITROBAN |
| ChEMBL ID | CHEMBL3301671 |
| Molecular Formula | C20H27NO4S |
| Molecular Weight | 377.51 |
| Molecular Weight (Monoisotopic) | 377.1661 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | DOMITROBAN |
| Smiles | O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 |
| Inchi | InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1 |
| Inchi Key | PWTCIBWRMQFJBC-ZEMKZVSASA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.39 |
| Records Key | ['DOMITROBAN'] |
| Records Name | ['DOMITROBAN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
