Compound Detail
CHEMBL312744
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Basic Information
| ChEMBL ID | CHEMBL312744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQDMOVHFEJISKE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
0.87
ALogP
6
HBA
1
HBD
78.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | IC50 | = | 100.0 | nM | 7.0 | Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora ... | 2374150 |
| Adenosine receptor A1 | IC50 | = | 1400.0 | nM | 5.85 | Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprag... | 2374150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374150 | 10.1021/jm00170a031 | Rattus norvegicus | 2 |
| 2374150 | 10.1021/jm00170a031 | Adenosine receptor A1 | 1 |
| 2374150 | 10.1021/jm00170a031 | Adenosine A2 receptor | 1 |
| 2374150 | 10.1021/jm00170a031 | Phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine