Bioactive Compound Details
| BioID | bio3296 |
|---|---|
| Name | IRSENONTRINE MALEATE |
| ChEMBL ID | CHEMBL4650224 |
| Molecular Formula | C26H26N4O7 |
| Molecular Weight | 506.52 |
| Molecular Weight (Monoisotopic) | 390.1692 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | E2027 maleate|ER-000592221- MAL|ER-592221-12|IRSENONTRINE MALEATE |
| Smiles | COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC4)c23)c1C.O=C(O)/C=C/C(=O)O |
| Inchi | InChI=1S/C22H22N4O3.C4H4O4/c1-12-9-23-22(28-3)13(2)19(12)14-4-5-16-18(8-14)25-21(27)17-10-24-26(20(16)17)15-6-7-29-11-15;5-3(6)1-2-4(7)8/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-;/m0./s1 |
| Inchi Key | AFKSGMDXSLTKSU-YAKGRJRBSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.69 |
| Records Key | ['IRSENONTRINE MALEATE'] |
| Records Name | ['IRSENONTRINE MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
