Compound Detail
CHEMBL74328
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Basic Information
| ChEMBL ID | CHEMBL74328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRCYLWWPMYXQSY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
2.91
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.09 | 4.855 | 8170.0 | 2 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.3 | 4.3 | 50300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 8170.0 | nM | 5.09 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
| Adenosine receptor A3 | Ki | = | 24000.0 | nM | 4.62 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
| Adenosine receptor A1 | Ki | = | 50300.0 | nM | 4.3 | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA disp... | 8691424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691424 | 10.1021/jm950923i | Adenosine receptor A1 | 2 |
| 8691424 | 10.1021/jm950923i | Adenosine A2 receptor | 2 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 2 |
| 8691424 | 10.1021/jm950923i | Adenosine receptors; A1 & A3 | 2 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine