Compound Detail
CHEMBL340657
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Basic Information
| ChEMBL ID | CHEMBL340657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYOYRISPVKKGIT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.01
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | IC50 | 8.68 | 8.68 | 2.1 | 2 |
| Adenosine receptor A2a CHEMBL251 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | IC50 | = | 2.1 | nM | 8.68 | Binding affinity for human adenosine A3 receptor expressed in HEK293 cells | 15109629 |
| Adenosine receptor A3 | IC50 | = | 2.1 | nM | 8.68 | Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor ex... | 15203160 |
| Adenosine receptor A2a | IC50 | = | 190.0 | nM | 6.72 | Binding affinity for human adenosine A2A receptor expressed in HEK293 cells | 15109629 |
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 A1 | 1 |
| 15203160 | 10.1016/j.bmcl.2004.04.099 | Adenosine receptor A2a | 1 |
| 15203160 | 10.1016/j.bmcl.2004.04.099 | Adenosine receptor A2b | 1 |
| 15203160 | 10.1016/j.bmcl.2004.04.099 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine