Compound Detail
CHEMBL337602
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Basic Information
| ChEMBL ID | CHEMBL337602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPRWMVGQJGNLCO-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.7
MW (Da)
-0.66
ALogP
8
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 7.34
EC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.34 | 6.9567 | 46.0 | 3 |
| Adenosine receptor A3 CHEMBL256 | EC50 | 6.09 | 6.09 | 803.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 46.0 | nM | 7.34 | Binding affinity towards Adenosine A3 receptor (W243 A mutant receptor) | 12238926 |
| Adenosine receptor A3 | Ki | = | 83.0 | nM | 7.08 | Binding affinity towards human Adenosine A3 receptor wild type | 12238926 |
| Adenosine receptor A3 | Ki | = | 353.0 | nM | 6.45 | Affinity for human Adenosine A3 receptor expressed in CHO cell | 12238926 |
| Adenosine receptor A3 | EC50 | = | 803.0 | nM | 6.09 | Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster o... | 12238926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238926 | 10.1021/jm020211+ | Adenosine receptor A3 | 6 |
Data from ChEMBL 36 via Core Engine