| BioID | bio2419 |
|---|
| Name | 9-BENZYL-9H-ADENINE |
|---|
| ChEMBL ID | CHEMBL266094 |
|---|
| Molecular Formula | C12H11N5 |
|---|
| Molecular Weight | 225.25 |
|---|
| Molecular Weight (Monoisotopic) | 225.1014 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-BENZYL-9H-ADENINE|9-BENZYL-9H-PURIN-6-YLAMINE |
|---|
| Smiles | Nc1ncnc2c1ncn2Cc1ccccc1 |
|---|
| Inchi | InChI=1S/C12H11N5/c13-11-10-12(15-7-14-11)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15) |
|---|
| Inchi Key | MRHCSNNEUHXNIC-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 32.0 |
|---|
| Bioactivities | 36.0 |
|---|
| Np Likeness Score | -0.9 |
|---|
| Records Key | ['68', '6g', '13', '60', '1', '47', '25', '19', 'SID24813376', '531', 'Fig S8, Cpd4', '1b', '13'] |
|---|
| Records Name | ['9-Benzyl-9H-purin-6-ylamine', '9-Benzyl-9H-purin-6-ylamine', '9-Benzyl-9H-purin-6-ylamine', '9-benzyl-9H-purin-6-amine', '9-Benzyl-9H-purin-6-ylamine', '9-Benzyl-9H-purin-6-ylamine', '9-Benzyl-9H-purin-6-ylamine', '9-Benzyl-9H-adenine', 'SID24813376', None, '9-benzyl-9H-purin-6-amine', '9-Benzyl-9H-adenine', '9-benzylpurin-6-amine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
