Compound Detail
CHEMBL428341
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 | CHEMBL428341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFLDSWMPDOYKJA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.50
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.16 | 8.16 | 7.0 | 2 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.26 | 6.26 | 553.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 6.96 | nM | 8.16 | Binding affinity against adenosine A1 receptor in rat cortex by the displacement... | 2016719 |
| Adenosine receptor A1 | Ki | = | 6.96 | nM | 8.16 | Affinity towards adenosine A1 receptor | - |
| Adenosine A2 receptor | Ki | = | 553.0 | nM | 6.26 | Binding affinity against adenosine A2 receptor in rat striatum by the displaceme... | 2016719 |
| Adenosine A2 receptor | Ki | = | 553.0 | nM | 6.26 | Affinity towards adenosine A2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016719 | 10.1021/jm00108a029 | Adenosine A2 receptor | 2 |
| 2016719 | 10.1021/jm00108a029 | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(00)80213-9 | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(00)80213-9 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine