Compound Detail
CHEMBL7723
9-BENZYL-6-METHYLSULFANYL-9H-PURINE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL7723 |
| Name | 9-BENZYL-6-METHYLSULFANYL-9H-PURINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFTQNGOHOHGYRP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.60
ALogP
5
HBA
0
HBD
43.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.48 | 5.48 | 3300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 3300.0 | nM | 5.48 | Inhibitory concentration against specific binding of [3H]diazepam to Benzodiazep... | 2163452 |
| GABA-A receptor; anion channel | IC50 | = | 3300.0 | nM | 5.48 | Concentration that inhibits binding of 1.5 nM [3H]diazepam to rat brain benzodia... | 2540330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2163452 | 10.1021/jm00169a013 | GABA-A receptor; anion channel | 1 |
| 2163452 | 10.1021/jm00169a013 | Rattus norvegicus | 1 |
| 3346877 | 10.1021/jm00398a019 | Rattus norvegicus | 1 |
| 2540330 | 10.1021/jm00125a015 | GABA-A receptor; anion channel | 1 |
| 2540330 | 10.1021/jm00125a015 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine