Compound Detail
CHEMBL89062
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Basic Information
| ChEMBL ID | CHEMBL89062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZBKGWBHAPBSBF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
-0.73
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.19 | 5.125 | 6500.0 | 2 |
| Adenosine receptor A2a CHEMBL2605 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 6500.0 | nM | 5.19 | Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors ... | 2984420 |
| Adenosine receptor A1 | Ki | = | 8800.0 | nM | 5.06 | Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PI... | 8410976 |
| Adenosine receptor A2a | Ki | = | 14000.0 | nM | 4.85 | Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices... | 2984420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2984420 | 10.1021/jm00382a018 | Adenosine receptor A1 | 1 |
| 2984420 | 10.1021/jm00382a018 | Adenosine receptor A2a | 1 |
| 2984420 | 10.1021/jm00382a018 | Unchecked | 1 |
| 8410976 | 10.1021/jm00070a007 | Adenosine receptor A1 | 1 |
| 8410976 | 10.1021/jm00070a007 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine