Compound Detail
CHEMBL126061
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Basic Information
| ChEMBL ID | CHEMBL126061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWGQYZRMKQHEFF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.02
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | IC50 | 5.58 | 5.58 | 2600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | IC50 | = | 2600.0 | nM | 5.58 | Binding affinity for human adenosine A2A receptor expressed in HEK293 cells | 15109629 |
| Adenosine receptor A2a | IC50 | = | 2600.0 | nM | 5.58 | Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor... | 15203160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109629 | 10.1016/j.bmcl.2004.03.010 | Adenosine receptor A2a | 1 |
| 15109629 | 10.1016/j.bmcl.2004.03.010 | Adenosine receptor A3 | 1 |
| 15109629 | 10.1016/j.bmcl.2004.03.010 | Adenosine receptors; A2a & A3 | 1 |
| 15203160 | 10.1016/j.bmcl.2004.04.099 | Adenosine receptor A2a | 1 |
| 15203160 | 10.1016/j.bmcl.2004.04.099 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine