Bioactive Compound Details
| BioID | bio3172 |
|---|---|
| Name | SACIBERTINIB |
| ChEMBL ID | CHEMBL5314440 |
| Molecular Formula | C32H31ClN6O4 |
| Molecular Weight | 599.09 |
| Molecular Weight (Monoisotopic) | 598.2095 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | SACIBERTINIB |
| Smiles | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c(C#N)cnc2cc1O[C@H]1CCOC1 |
| Inchi | InChI=1S/C32H31ClN6O4/c1-39(2)12-5-7-31(40)38-28-15-25-27(16-30(28)43-24-10-13-41-20-24)36-18-21(17-34)32(25)37-22-8-9-29(26(33)14-22)42-19-23-6-3-4-11-35-23/h3-9,11,14-16,18,24H,10,12-13,19-20H2,1-2H3,(H,36,37)(H,38,40)/b7-5+/t24-/m0/s1 |
| Inchi Key | ZGYIXVSQHOKQRZ-COIATFDQSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.26 |
| Records Key | ['SACIBERTINIB'] |
| Records Name | ['SACIBERTINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
