Bioactive Compound Details
| BioID | bio2347 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL506597 |
| Molecular Formula | C18H20N2O3 |
| Molecular Weight | 312.37 |
| Molecular Weight (Monoisotopic) | 312.1474 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Valerylisoaaptamine |
| Smiles | CCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C18H20N2O3/c1-4-5-6-15(21)23-18-14(22-3)11-12-7-9-19-13-8-10-20(2)17(18)16(12)13/h7-11H,4-6H2,1-3H3 |
| Inchi Key | TZFHMCQDGSMNOH-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.3 |
| Records Key | ['5'] |
| Records Name | ['9-O-valerylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
