Compound Detail
CHEMBL339066
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Basic Information
| ChEMBL ID | CHEMBL339066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCRWQPZNNMWWDZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
381.3
MW (Da)
5.05
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | IC50 | 8.09 | 8.09 | 8.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | IC50 | = | 8.2 | nM | 8.09 | Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor ex... | 15203160 |
| Adenosine receptor A3 | IC50 | = | 8.2 | nM | 8.09 | Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor exp... | 22468757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22468757 | 10.1021/jm300087j | Adenosine receptor A3 | 2 |
| 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 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A2a | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A1 | 1 |
| 22468757 | 10.1021/jm300087j | Unchecked | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptors; A1 & A3 | 1 |
Data from ChEMBL 36 via Core Engine