Bioactive Compound Details
| BioID | bio2099 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL278544 |
| 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-[3-(Phosphonomethoxy)Propyl]Adenine |
| Smiles | Nc1ncnc2c1ncn2CCCOCP(=O)(O)O |
| Inchi | InChI=1S/C9H14N5O4P/c10-8-7-9(12-4-11-8)14(5-13-7)2-1-3-18-6-19(15,16)17/h4-5H,1-3,6H2,(H2,10,11,12)(H2,15,16,17) |
| Inchi Key | BKLZHVCAEBYXHN-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.63 |
| Records Key | ['5'] |
| Records Name | ['9-[3-(Phosphonomethoxy)propyl]adenine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
