Compound Detail
CHEMBL28052
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Basic Information
| ChEMBL ID | CHEMBL28052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STFANTOCZIWBIA-VAWYXSNFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
2.74
ALogP
9
HBA
0
HBD
89.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.86 | 6.86 | 139.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.38 | 5.38 | 4120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 139.0 | nM | 6.86 | Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 2168... | 8496902 |
| Adenosine receptor A1 | Ki | = | 4120.0 | nM | 5.38 | Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioliga... | 8496902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496902 | 10.1021/jm00062a005 | Adenosine receptor A1 | 1 |
| 8496902 | 10.1021/jm00062a005 | Adenosine A2 receptor | 1 |
| 8496902 | 10.1021/jm00062a005 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine