Compound Detail
CHEMBL2322924
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Basic Information
| ChEMBL ID | CHEMBL2322924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIYCMRYEOUXQND-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.38
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.62
IC50 1 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.62 | 8.62 | 2.4 | 2 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 7.71 | 7.71 | 19.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 2.4 | nM | 8.62 | Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO ... | 23427825 |
| Adenosine receptor A3 | Ki | = | 2.4 | nM | 8.62 | Binding affinity to human adenosine A3A receptor measured by radioligand-based a... | 34695776 |
| Adenosine receptor A3 | IC50 | = | 19.7 | nM | 7.71 | Antagonist activity at human adenosine A3A receptor expressed in CHO cells asses... | 34695776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34695776 | 10.1016/j.ejmech.2021.113907 | Adenosine receptor A3 | 2 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2b | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2a | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A1 | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine