Compound Detail
CHEMBL16820
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Basic Information
| ChEMBL ID | CHEMBL16820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUHVOLIPXZEVIZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.7
MW (Da)
2.27
ALogP
6
HBA
1
HBD
78.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.48 | 6.48 | 329.0 | 2 |
| Adenosine receptor A1 CHEMBL4975 | Ki | 6.37 | 6.37 | 426.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 329.0 | nM | 6.48 | Binding affinity towards human adenosine A3 receptor expressed in HEK293 cells i... | 10737748 |
| Adenosine receptor A3 | Ki | = | 329.0 | nM | 6.48 | Antagonist activity at human adenosine A3 receptor | 21511471 |
| Adenosine receptor A1 | Ki | = | 426.0 | nM | 6.37 | Binding affinity towards adenosine A1 receptor of bovine brain membrane in prese... | 10737748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737748 | 10.1021/jm991096e | Adenosine receptor A1 | 1 |
| 10737748 | 10.1021/jm991096e | Adenosine receptor A2a | 1 |
| 10737748 | 10.1021/jm991096e | Adenosine receptor A3 | 1 |
| 21511471 | 10.1016/j.bmcl.2011.03.073 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine