Bioactive Compound Details
| BioID | bio2784 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL479895 |
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.29 |
| Molecular Weight (Monoisotopic) | 270.1004 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Acetylisoaaptamine |
| Smiles | COc1cc2ccnc3c2c(c1OC(C)=O)N(C)C=C3 |
| Inchi | InChI=1S/C15H14N2O3/c1-9(18)20-15-12(19-3)8-10-4-6-16-11-5-7-17(2)14(15)13(10)11/h4-8H,1-3H3 |
| Inchi Key | UFIDUVNUKYFBPG-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.49 |
| Records Key | ['3'] |
| Records Name | ['9-O-acetylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
