Bioactive Compound Details
| BioID | bio3050 |
|---|---|
| Name | MASUPIRDINE |
| ChEMBL ID | CHEMBL4117187 |
| Molecular Formula | C21H24BrN3O3S |
| Molecular Weight | 478.41 |
| Molecular Weight (Monoisotopic) | 477.0722 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | MASUPIRDINA|MASUPIRDINE|SUVN-502 |
| Smiles | COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br |
| Inchi | InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3 |
| Inchi Key | GWCYPEHWIZXYFZ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.33 |
| Records Key | ['MASUPIRDINE'] |
| Records Name | ['MASUPIRDINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
