Bioactive Compound Details
| BioID | bio3036 |
|---|---|
| Name | ILACIRNON SODIUM |
| ChEMBL ID | CHEMBL4650229 |
| Molecular Formula | C20H12ClF3N5NaO3S |
| Molecular Weight | 517.85 |
| Molecular Weight (Monoisotopic) | 495.038 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | CCX140 sodium|ILACIRNON SODIUM |
| Smiles | Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.[Na+] |
| Inchi | InChI=1S/C20H13ClF3N5O3S.Na/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16;/h2-9H,1H3,(H2,25,27,28,29,30);/q;+1/p-1 |
| Inchi Key | GJTHOZVZZCTXOH-UHFFFAOYSA-M |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.47 |
| Records Key | ['ILACIRNON SODIUM'] |
| Records Name | ['ILACIRNON SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
