Compound Detail
CHEMBL115614
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 | CHEMBL115614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQKYRUYHWSIGAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
0.62
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 3400.0 | nM | 5.47 | Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [... | 8230124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine