Compound Detail
CHEMBL608761
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Basic Information
| ChEMBL ID | CHEMBL608761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFQAUZUXORVPSD-QQIVLSGASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
-2.60
ALogP
9
HBA
4
HBD
162.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.0 | 7.0 | 101.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.81 | 6.81 | 154.0 | 1 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 6.33 | 6.33 | 468.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 101.0 | nM | 7.0 | Binding affinity for A2-adenosine receptor by the displacement of specific [3H]-... | 8126704 |
| Adenosine receptor A1 | Ki | = | 154.0 | nM | 6.81 | Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-... | 8126704 |
| Adenosine receptor A3 | Ki | = | 468.0 | nM | 6.33 | Binding affinity for recombinant rat A3-adenosine receptor by the displacement o... | 8126704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8126704 | 10.1021/jm00031a014 | Adenosine receptor A1 | 1 |
| 8126704 | 10.1021/jm00031a014 | Adenosine A2 receptor | 1 |
| 8126704 | 10.1021/jm00031a014 | Adenosine receptor A3 | 1 |
| 8126704 | 10.1021/jm00031a014 | Adenosine receptors; A1 & A3 | 1 |
| 8126704 | 10.1021/jm00031a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine