Bioactive Compound Details
| BioID | bio2449 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL569242 |
| Molecular Formula | C12H19N5 |
| Molecular Weight | 233.32 |
| Molecular Weight (Monoisotopic) | 233.164 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-(3-Heptyl)Adenine |
| Smiles | CCCCC(CC)n1cnc2c(N)ncnc21 |
| Inchi | InChI=1S/C12H19N5/c1-3-5-6-9(4-2)17-8-16-10-11(13)14-7-15-12(10)17/h7-9H,3-6H2,1-2H3,(H2,13,14,15) |
| Inchi Key | QMACLGXXJKFGPH-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.38 |
| Records Key | ['61'] |
| Records Name | ['9-(3-Heptyl)adenine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
