| BioID | bio2133 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL20283 |
|---|
| Molecular Formula | C8H12N5O5P |
|---|
| Molecular Weight | 289.19 |
|---|
| Molecular Weight (Monoisotopic) | 289.0576 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-[1-(Phosphonoethoxy)Methyl]Guanine|9-[2-(Phosphonoethoxy)Methyl]Adenine |
|---|
| Smiles | Nc1nc(O)c2ncn(COCCP(=O)(O)O)c2n1 |
|---|
| Inchi | InChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14) |
|---|
| Inchi Key | MSHDORHYJZBNLS-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | -0.44 |
|---|
| Records Key | ['8', '16b', 'PMEG'] |
|---|
| Records Name | ['9-[2-(Phosphonoethoxy)methyl]adenine', '9-[1-(phosphonoethoxy)methyl]guanine', '[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl]-phosphonic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
