Bioactive Compound Details
| BioID | bio3290 |
|---|---|
| Name | EMILUMENIB |
| ChEMBL ID | CHEMBL5314517 |
| Molecular Formula | C27H29F3N6O3S |
| Molecular Weight | 574.63 |
| Molecular Weight (Monoisotopic) | 574.1974 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | EMILUMENIB |
| Smiles | COc1cc(-c2ccc(CN[C@H]3C[C@@H](O)[C@@H](N(C)c4ncnc5sc(CC(F)(F)F)cc45)C3)cc2)nnc1OC |
| Inchi | InChI=1S/C27H29F3N6O3S/c1-36(24-19-10-18(12-27(28,29)30)40-26(19)33-14-32-24)21-8-17(9-22(21)37)31-13-15-4-6-16(7-5-15)20-11-23(38-2)25(39-3)35-34-20/h4-7,10-11,14,17,21-22,31,37H,8-9,12-13H2,1-3H3/t17-,21+,22-/m1/s1 |
| Inchi Key | FFHYBSANKGPTCW-VOQZNFBZSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.02 |
| Records Key | ['EMILUMENIB'] |
| Records Name | ['EMILUMENIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
