Compound Detail
CHEMBL5799083
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Basic Information
| ChEMBL ID | CHEMBL5799083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSGBBHGXQRBPTD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.03
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.62 | 5.62 | 2399.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 24.0 | nM | 7.62 | Binding Assay: All test compounds were prepared as a stock solution of 10 mM in ... | - |
| Adenosine receptor A2a | Ki | = | 2399.0 | nM | 5.62 | Binding Assay: All test compounds were prepared as a stock solution of 10 mM in ... | - |
Data from ChEMBL 36 via Core Engine