Compound Detail
CHEMBL276138
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Basic Information
| ChEMBL ID | CHEMBL276138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAGHBOZWUJXDTQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.31
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membra... | 2002461 |
| Adenosine receptor A1 | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membran... | 2002461 |
| Adenosine A2 receptor | Ki | = | 290.0 | nM | 6.54 | Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membra... | 2002461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2002461 | 10.1021/jm00107a046 | Adenosine receptor A1 | 2 |
| 2002461 | 10.1021/jm00107a046 | Adenosine A2 receptor | 1 |
| 2002461 | 10.1021/jm00107a046 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine