Compound Detail
CHEMBL77279
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Basic Information
| ChEMBL ID | CHEMBL77279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTWPCLLAFIHNPC-CMDGGOBGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
2.90
ALogP
8
HBA
1
HBD
100.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | Ki | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 17.0 | nM | 7.77 | Binding affinity against adenosine A2 receptor from rat striatal membranes, usin... | 1613758 |
| Adenosine receptor A1 | Ki | = | 850.0 | nM | 6.07 | Binding affinity against adenosine A1 receptor from guinea pig forebrain membran... | 1613758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613758 | 10.1021/jm00090a027 | Adenosine receptor A1 | 1 |
| 1613758 | 10.1021/jm00090a027 | Adenosine A2 receptor | 1 |
| 1613758 | 10.1021/jm00090a027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine