Bioactive Compound Details
| BioID | bio2200 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL478430 |
| Molecular Formula | C8H7N5 |
| Molecular Weight | 173.18 |
| Molecular Weight (Monoisotopic) | 173.0701 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | N-9-Propargyladenine |
| Smiles | C#CCn1cnc2c(N)ncnc21 |
| Inchi | InChI=1S/C8H7N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h1,4-5H,3H2,(H2,9,10,11) |
| Inchi Key | NAVKZAZXCDIPTQ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | -1.12 |
| Records Key | ['1c'] |
| Records Name | ['N-9-propargyladenine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
