Bioactive Compound Details
| BioID | bio2091 |
|---|---|
| Name | LIREQUINIL |
| ChEMBL ID | CHEMBL2105118 |
| Molecular Formula | C26H25ClN2O3 |
| Molecular Weight | 448.95 |
| Molecular Weight (Monoisotopic) | 448.1554 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | LIREQUINIL|LIREQUINILO|RO-41-3696|RO41-3696 |
| Smiles | CCO[C@H]1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)C1 |
| Inchi | InChI=1S/C26H25ClN2O3/c1-2-32-20-11-12-28(16-20)25(30)23-15-22(17-6-4-3-5-7-17)26(31)29-13-10-18-8-9-19(27)14-21(18)24(23)29/h3-9,14-15,20H,2,10-13,16H2,1H3/t20-/m0/s1 |
| Inchi Key | CBSWRAUYCIIUEI-FQEVSTJZSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.01 |
| Records Key | ['LIREQUINIL'] |
| Records Name | ['LIREQUINIL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
