| BioID | bio3121 |
|---|
| Name | IRSENONTRINE |
|---|
| ChEMBL ID | CHEMBL4650368 |
|---|
| Molecular Formula | C22H22N4O3 |
|---|
| Molecular Weight | 390.44 |
|---|
| Molecular Weight (Monoisotopic) | 390.1692 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | E-2027|E2027|ER-592221-00|IRSENONTRINE |
|---|
| Smiles | COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC4)c23)c1C |
|---|
| Inchi | InChI=1S/C22H22N4O3/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/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,25,27)/t15-/m0/s1 |
|---|
| Inchi Key | CKJDCNZBABIEBZ-HNNXBMFYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.69 |
|---|
| Records Key | ['IRSENONTRINE', 'IRSENONTRINE'] |
|---|
| Records Name | ['IRSENONTRINE', 'IRSENONTRINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
