Bioactive Compound Details
| BioID | bio2999 |
|---|---|
| Name | ZIFTOMENIB |
| ChEMBL ID | CHEMBL5095038 |
| Molecular Formula | C33H42F3N9O2S2 |
| Molecular Weight | 717.89 |
| Molecular Weight (Monoisotopic) | 717.2855 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | KO 539|KO-539|KO539|ZIFTOMENIB |
| Smiles | CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4C[C@H](C)N4CCN(S(C)(=O)=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1 |
| Inchi | InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1 |
| Inchi Key | BGGALFIXXQOTPY-NRFANRHFSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.71 |
| Records Key | ['ZIFTOMENIB', 'ZIFTOMENIB'] |
| Records Name | ['ZIFTOMENIB', 'ZIFTOMENIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
