Bioactive Compound Details
| BioID | bio2243 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL19784 |
| Molecular Formula | C9H14N5O4P |
| Molecular Weight | 287.22 |
| Molecular Weight (Monoisotopic) | 287.0783 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-(4-Phosphonobutyl)Guanine |
| Smiles | Nc1nc(O)c2ncn(CCCCP(=O)(O)O)c2n1 |
| Inchi | InChI=1S/C9H14N5O4P/c10-9-12-7-6(8(15)13-9)11-5-14(7)3-1-2-4-19(16,17)18/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15) |
| Inchi Key | UYWGTMUIXYERMZ-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 7.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | -0.72 |
| Records Key | ['7', '3e'] |
| Records Name | ['9-(4-Phosphonobutyl)guanine', '9-(4-phosphonobutyl)guanine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
