Bioactive Compound Details
| BioID | bio2387 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL569925 |
| Molecular Formula | C8H9N5O2 |
| Molecular Weight | 207.19 |
| Molecular Weight (Monoisotopic) | 207.0756 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-(2-Carboxyethyl)Adenine |
| Smiles | Nc1ncnc2c1ncn2CCC(=O)O |
| Inchi | InChI=1S/C8H9N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)2-1-5(14)15/h3-4H,1-2H2,(H,14,15)(H2,9,10,11) |
| Inchi Key | QXAYJKFBMWMARF-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | -0.72 |
| Records Key | ['57'] |
| Records Name | ['9-(2-carboxyethyl)adenine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
