Bioactive Compound Details
| BioID | bio3067 |
|---|---|
| Name | FIRMONERTINIB |
| ChEMBL ID | CHEMBL4297258 |
| Molecular Formula | C28H31F3N8O2 |
| Molecular Weight | 568.6 |
| Molecular Weight (Monoisotopic) | 568.2522 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ALFLUTINIB|AST-2818|AST2818|FIRMONERTINIB|FURMONERTINIB |
| Smiles | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OCC(F)(F)F)nc1N(C)CCN(C)C |
| Inchi | InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35) |
| Inchi Key | GHKOONMJXNWOIW-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.23 |
| Records Key | ['FIRMONERTINIB', 'FIRMONERTINIB'] |
| Records Name | ['FIRMONERTINIB', 'FIRMONERTINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
