Compound Detail
CHEMBL56409
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL56409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHPLWQRIVGHSEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
1.94
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 20.0 | nM | 7.7 | Antagonist activity against adenosine A1 receptor in human platelets | 1694546 |
| Adenosine A2 receptor | Ki | = | 370.0 | nM | 6.43 | Antagonistic activity against adenosine A2 receptor in rat adipocytes | 1694546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1694546 | 10.1021/jm00169a012 | Adenosine receptor A1 | 1 |
| 1694546 | 10.1021/jm00169a012 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine