Bioactive Compound Details
| BioID | bio2299 |
|---|---|
| Name | MONLUNABANT |
| ChEMBL ID | CHEMBL5314529 |
| Molecular Formula | C26H22ClF3N6O3S |
| Molecular Weight | 591.02 |
| Molecular Weight (Monoisotopic) | 590.1115 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | MONLUNABANT |
| Smiles | CC(=O)NC(=N)/N=C(\NS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 |
| Inchi | InChI=1S/C26H22ClF3N6O3S/c1-16(37)32-24(31)33-25(35-40(38,39)21-13-9-19(10-14-21)26(28,29)30)36-23(18-5-3-2-4-6-18)15-22(34-36)17-7-11-20(27)12-8-17/h2-14,23H,15H2,1H3,(H3,31,32,33,35,37)/t23-/m0/s1 |
| Inchi Key | BWTOCEGDOPMUFY-QHCPKHFHSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.32 |
| Records Key | ['MONLUNABANT'] |
| Records Name | ['MONLUNABANT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
