Compound Detail
CHEMBL113476
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Basic Information
| ChEMBL ID | CHEMBL113476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OERXYKAGPDUQLB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.31
ALogP
6
HBA
0
HBD
52.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 78.0 | nM | 7.11 | Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cor... | 11462973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462973 | 10.1021/jm001054m | Adenosine receptor A1 | 1 |
| 11462973 | 10.1021/jm001054m | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine