Bioactive Compound Details
| BioID | bio1986 |
|---|---|
| Name | BEFOTERTINIB |
| ChEMBL ID | CHEMBL5095167 |
| Molecular Formula | C29H32F3N7O2 |
| Molecular Weight | 567.62 |
| Molecular Weight (Monoisotopic) | 567.257 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BEFOTERTINIB|D 0316|D-0316|D0316 |
| Smiles | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C |
| Inchi | InChI=1S/C29H32F3N7O2/c1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36) |
| Inchi Key | USOCZVZOXKTJTI-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.35 |
| Records Key | ['BEFOTERTINIB'] |
| Records Name | ['BEFOTERTINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
