Compound Detail
CHEMBL194728
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 | CHEMBL194728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTJZVOMEMRNYKF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
-0.47
ALogP
8
HBA
1
HBD
100.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 7.33 | 7.33 | 46.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.4 | nM | 9.4 | Binding affinity towards human Adenosine A1 receptor expressed in CHO cells usin... | 16250647 |
| Adenosine receptor A2a | Ki | = | 46.3 | nM | 7.33 | Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells ... | 16250647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250647 | 10.1021/jm058018d | Adenosine receptor A2a | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptor A2b | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptor A1 | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine