Compound Detail
CHEMBL336847
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 | CHEMBL336847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBLPPSBEJYKOBD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.83
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.13 | 7.13 | 73.8 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 73.8 | nM | 7.13 | Binding affinity towards adenosine A1 receptor was determined using radioligand ... | 8258823 |
| Adenosine A2 receptor | Ki | = | 610.0 | nM | 6.21 | Binding affinity towards adenosine A2 receptor was determined using radioligand ... | 8258823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258823 | 10.1021/jm00077a004 | Adenosine receptor A1 | 1 |
| 8258823 | 10.1021/jm00077a004 | Adenosine A2 receptor | 1 |
| 8258823 | 10.1021/jm00077a004 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine