Compound Detail
CHEMBL278932
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Basic Information
| ChEMBL ID | CHEMBL278932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZCCPYHYSIPRDM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
0.09
ALogP
9
HBA
5
HBD
142.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.02 | 6.02 | 946.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.74 | 5.74 | 1820.0 | 1 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 4.23 | 4.23 | 59200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 946.0 | nM | 6.02 | Binding affinity to adenosine A1 receptor in rat brain membranes by measuring di... | 7707320 |
| Adenosine receptor A2a | Ki | = | 1820.0 | nM | 5.74 | Binding affinity to adenosine A2A receptor in rat striatal membranes by measurin... | 7707320 |
| Adenosine receptor A3 | Ki | = | 59200.0 | nM | 4.23 | Binding affinity determined by displacement of specific binding of [125I]N-(4-am... | 7707320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A1 | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A2a | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine