Compound Detail
CHEMBL274274
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Basic Information
| ChEMBL ID | CHEMBL274274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTPLIJMXPIILJW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
3.23
ALogP
7
HBA
2
HBD
90.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.19 | 8.19 | 6.5 | 2 |
| Adenosine receptor A1 CHEMBL4975 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 6.5 | nM | 8.19 | Binding affinity towards Adenosine A2A receptor of bovine striatal membrane usin... | 10737748 |
| Adenosine receptor A2a | Ki | = | 6.5 | nM | 8.19 | Binding affinity to human adenosine A2A receptor | 18637670 |
| Adenosine receptor A1 | Ki | = | 730.0 | nM | 6.14 | 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 |
| 18637670 | 10.1021/jm701594y | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine