Bioactive Compound Details
| BioID | bio2010 |
|---|---|
| Name | TIVUMECIRNON |
| ChEMBL ID | CHEMBL5314490 |
| Molecular Formula | C24H27Cl2F3N6O |
| Molecular Weight | 543.42 |
| Molecular Weight (Monoisotopic) | 542.1575 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | FLX-475|TIVUMECIRNON |
| Smiles | C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(F)(F)F)c2ncc(N3CC([C@H]4CCCN(CCO)C4)C3)nc21 |
| Inchi | InChI=1S/C24H27Cl2F3N6O/c1-14(18-5-4-17(25)9-19(18)26)35-23-21(22(32-35)24(27,28)29)30-10-20(31-23)34-12-16(13-34)15-3-2-6-33(11-15)7-8-36/h4-5,9-10,14-16,36H,2-3,6-8,11-13H2,1H3/t14-,15+/m1/s1 |
| Inchi Key | AKSVALRPYDVQBS-CABCVRRESA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.17 |
| Records Key | ['TIVUMECIRNON'] |
| Records Name | ['TIVUMECIRNON'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
