Compound Detail
CHEMBL58879
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Basic Information
| ChEMBL ID | CHEMBL58879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDCNVAZBPBRDCZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
1.69
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 7.05 | 6.925 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 90.0 | nM | 7.05 | Antagonist activity against adenosine A1 receptor in human platelets | 1694546 |
| Adenosine receptor A1 | Ki | = | 160.0 | nM | 6.8 | Antagonist activity against adenosine A1 receptor in human platelets | 1694546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1694546 | 10.1021/jm00169a012 | Adenosine receptor A1 | 2 |
| 1694546 | 10.1021/jm00169a012 | Adenosine A2 receptor | 2 |
Data from ChEMBL 36 via Core Engine