Compound Detail
CHEMBL344857
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Basic Information
| ChEMBL ID | CHEMBL344857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLFWFDXPDOEDFZ-MDZDMXLPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.25
ALogP
7
HBA
0
HBD
71.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 12.0 | nM | 7.92 | Binding affinity against adenosine A2A receptor of rat brain striatal membranes ... | 10669571 |
| Adenosine receptor A1 | Ki | = | 1280.0 | nM | 5.89 | Binding affinity against adenosine A1 receptor of rat brain cortical membranes u... | 10669571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669571 | 10.1021/jm9911480 | Adenosine receptor A1 | 1 |
| 10669571 | 10.1021/jm9911480 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine