| BioID | bio2649 |
|---|
| Name | SEGANSERIN |
|---|
| ChEMBL ID | CHEMBL1742436 |
|---|
| Molecular Formula | C29H27F2N3O |
|---|
| Molecular Weight | 471.55 |
|---|
| Molecular Weight (Monoisotopic) | 471.2122 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SEGANSERIN|SEGANSERINA|SEGANSERINE |
|---|
| Smiles | Cc1nc2ccccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
|---|
| Inchi | InChI=1S/C29H27F2N3O/c1-20-26(29(35)34-16-3-2-4-27(34)32-20)15-19-33-17-13-23(14-18-33)28(21-5-9-24(30)10-6-21)22-7-11-25(31)12-8-22/h2-12,16H,13-15,17-19H2,1H3 |
|---|
| Inchi Key | ZGUPMFYFHHSNFK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.31 |
|---|
| Records Key | ['SEGANSERIN', 'COVC-3899449667', 'COVC-3897102633', 'COVC-3897090882'] |
|---|
| Records Name | ['SEGANSERIN', 'SEGANSERIN', 'SEGANSERIN', 'SEGANSERIN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
