Compound Detail
CHEMBL74505
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Basic Information
| ChEMBL ID | CHEMBL74505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVGSHXMDRPGOQM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
5.45
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.14 | 5.14 | 7270.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.57 | 4.57 | 26800.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 7270.0 | nM | 5.14 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
| Adenosine A2 receptor | Ki | = | 26800.0 | nM | 4.57 | Binding affinity at Adenosine A2 receptor in rat striatal membranes by [3H]-CGS-... | 8691424 |
| Adenosine receptor A1 | Ki | = | 32300.0 | nM | 4.49 | 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 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine A2 receptor | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptors; A1 & A3 | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A1 | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A2a | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine