Bioactive Compound Details
| BioID | bio2655 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL519618 |
| Molecular Formula | C27H38N2O3 |
| Molecular Weight | 438.61 |
| Molecular Weight (Monoisotopic) | 438.2882 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Myristylisoaaptamine |
| Smiles | CCCCCCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C27H38N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-24(30)32-27-23(31-3)20-21-16-18-28-22-17-19-29(2)26(27)25(21)22/h16-20H,4-15H2,1-3H3 |
| Inchi Key | HALVWHJMODNIMQ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.31 |
| Records Key | ['12'] |
| Records Name | ['9-O-myristylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
