Bioactive Compound Details
| BioID | bio2065 |
|---|---|
| Name | ALINASTINE |
| ChEMBL ID | CHEMBL1742403 |
| Molecular Formula | C28H39N3O |
| Molecular Weight | 433.64 |
| Molecular Weight (Monoisotopic) | 433.3093 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ALINASTINA|ALINASTINE |
| Smiles | CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C)cc3)CC2)nc2ccccc21 |
| Inchi | InChI=1S/C28H39N3O/c1-5-32-21-20-31-26-9-7-6-8-25(26)29-27(31)23-15-18-30(19-16-23)17-14-22-10-12-24(13-11-22)28(2,3)4/h6-13,23H,5,14-21H2,1-4H3 |
| Inchi Key | NPWTVYBPSXCRPM-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.46 |
| Records Key | ['ALINASTINE'] |
| Records Name | ['ALINASTINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
