Compound Detail
CHEMBL337552
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Basic Information
| ChEMBL ID | CHEMBL337552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWPAGUFEQMXDAN-ATJXCDBQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
5.06
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.76 | 5.76 | 1750.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.5 | 5.5 | 3150.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 1750.0 | nM | 5.76 | Binding affinity against cloned human adenosine A3 receptor by radioligand bindi... | 8917655 |
| Adenosine receptor A2a | Ki | = | 3150.0 | nM | 5.5 | Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal memb... | 8917655 |
| Adenosine receptor A1 | Ki | = | 26000.0 | nM | 4.58 | Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane b... | 8917655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8917655 | 10.1021/jm960457c | Adenosine receptor A1 | 1 |
| 8917655 | 10.1021/jm960457c | Adenosine receptor A2a | 1 |
| 8917655 | 10.1021/jm960457c | Adenosine receptor A3 | 1 |
| 8917655 | 10.1021/jm960457c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine