Compound Detail
CHEMBL606228
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 | CHEMBL606228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APTKSGDBXBZUEM-BSPZJRRFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
1.57
ALogP
8
HBA
4
HBD
112.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.27 | 6.27 | 539.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.86 | 4.86 | 13700.0 | 1 |
| Adenosine deaminase CHEMBL2966 | Ki | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 539.0 | nM | 6.27 | Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DP... | 10649980 |
| Adenosine receptor A2a | Ki | = | 13700.0 | nM | 4.86 | Binding affinity for adenosine A2A receptor was determined by displacement of [3... | 10649980 |
| Adenosine deaminase | Ki | = | 80000.0 | nM | 4.1 | Inhibition calf intestine adenosine deaminase | 7562937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562937 | 10.1021/jm00020a017 | Human immunodeficiency virus 1 | 1 |
| 7562937 | 10.1021/jm00020a017 | C8166 | 1 |
| 7562937 | 10.1021/jm00020a017 | Adenosine deaminase | 1 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptor A1 | 1 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptor A2a | 1 |
| 10649980 | 10.1021/jm9911231 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine