Compound Detail
CHEMBL197682
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Basic Information
| ChEMBL ID | CHEMBL197682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQJPRTMRYHJULG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
0.44
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 120.0 | nM | 6.92 | Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells ... | 16250647 |
| Adenosine receptor A2b | Ki | = | 140.0 | nM | 6.85 | Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells ... | 16250647 |
| Adenosine receptor A1 | Ki | = | 340.0 | nM | 6.47 | Binding affinity towards human Adenosine A1 receptor expressed in CHO cells usin... | 16250647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250647 | 10.1021/jm058018d | Adenosine receptor A2a | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptor A2b | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptor A1 | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptors; A1 & A2a | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptors; A2a & A2b | 1 |
Data from ChEMBL 36 via Core Engine