Compound Detail
CHEMBL27762
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Basic Information
| ChEMBL ID | CHEMBL27762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVDJCRHMFYMNMB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
2.32
ALogP
8
HBA
1
HBD
108.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.38 | 7.38 | 42.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 30.0 | nM | 7.52 | Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical s... | 2993622 |
| Adenosine receptor A1 | Ki | = | 42.0 | nM | 7.38 | Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1... | 2754711 |
| Adenosine receptor A1 | Ki | = | 42.0 | nM | 7.38 | Binding affinity towards adenosine A1 receptor in rat cerebral cortical membrane... | 2993622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2754711 | 10.1021/jm00128a031 | Adenosine receptor A1 | 1 |
| 2754711 | 10.1021/jm00128a031 | Adenosine A2 receptor | 1 |
| 2754711 | 10.1021/jm00128a031 | Adenosine receptors; A1 & A2 | 1 |
| 2993622 | 10.1021/jm00147a038 | Adenosine receptor A1 | 1 |
| 2993622 | 10.1021/jm00147a038 | Adenosine A2 receptor | 1 |
| 2993622 | 10.1021/jm00147a038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine