Compound Detail
CHEMBL2079643
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Basic Information
| ChEMBL ID | CHEMBL2079643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPLPBEAPQUBYJP-UUOKFMHZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.8
MW (Da)
-0.61
ALogP
9
HBA
4
HBD
130.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.7 | 7.7 | 19.8 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 5.96 | 5.96 | 1090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 19.8 | nM | 7.7 | Binding affinity to adenosine A2A receptor in rat striatal membranes by measurin... | 7707320 |
| Adenosine receptor A1 | Ki | = | 300.0 | nM | 6.52 | Binding affinity to adenosine A1 receptor in rat brain membranes by measuring di... | 7707320 |
| Adenosine receptor A3 | Ki | = | 1090.0 | nM | 5.96 | 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