Compound Detail
CHEMBL196259
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 | CHEMBL196259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABAHFXBQXJPKNX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
1.31
ALogP
8
HBA
1
HBD
100.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 5.63 | 5.63 | 2330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 4.7 | nM | 8.33 | Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells ... | 16250647 |
| Adenosine receptor A1 | Ki | = | 80.0 | nM | 7.1 | Binding affinity towards human Adenosine A1 receptor expressed in CHO cells usin... | 16250647 |
| Adenosine receptor A2b | Ki | = | 2330.0 | nM | 5.63 | Binding affinity towards human Adenosine A2b 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 |
| 16250647 | 10.1021/jm058018d | Adenosine receptors; A2a & A2b | 1 |
Data from ChEMBL 36 via Core Engine