| BioID | bio2198 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL481850 |
|---|
| Molecular Formula | C16H16N2O3 |
|---|
| Molecular Weight | 284.31 |
|---|
| Molecular Weight (Monoisotopic) | 284.1161 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-O-Propionylisoaaptamine |
|---|
| Smiles | CCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
|---|
| Inchi | InChI=1S/C16H16N2O3/c1-4-13(19)21-16-12(20-3)9-10-5-7-17-11-6-8-18(2)15(16)14(10)11/h5-9H,4H2,1-3H3 |
|---|
| Inchi Key | ZFVOTIVSTQWXOJ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.31 |
|---|
| Records Key | ['4'] |
|---|
| Records Name | ['9-O-propionylisoaaptamine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
