Compound Detail
CHEMBL73682
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 | CHEMBL73682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYXCDEFFZPTEHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
0.70
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | IC50 | = | 700.0 | nM | 6.16 | Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora ... | 2374150 |
| Adenosine receptor A1 | IC50 | = | 840.0 | nM | 6.08 | Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprag... | 2374150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374150 | 10.1021/jm00170a031 | Rattus norvegicus | 1 |
| 2374150 | 10.1021/jm00170a031 | Adenosine receptor A1 | 1 |
| 2374150 | 10.1021/jm00170a031 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine