| BioID | bio2024 |
|---|
| Name | 9-BENZYL-6-METHYLSULFANYL-9H-PURINE |
|---|
| ChEMBL ID | CHEMBL7723 |
|---|
| Molecular Formula | C13H12N4S |
|---|
| Molecular Weight | 256.33 |
|---|
| Molecular Weight (Monoisotopic) | 256.0783 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | CSc1ncnc2c1ncn2Cc1ccccc1 |
|---|
| Inchi | InChI=1S/C13H12N4S/c1-18-13-11-12(14-8-15-13)17(9-16-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
|---|
| Inchi Key | VFTQNGOHOHGYRP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -1.41 |
|---|
| Records Key | ['59', '13', '25'] |
|---|
| Records Name | ['9-Benzyl-6-methylsulfanyl-9H-purine', '9-Benzyl-6-methylsulfanyl-9H-purine', '9-Benzyl-6-methylsulfanyl-9H-purine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
