Compound Detail
CHEMBL160704
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Basic Information
| ChEMBL ID | CHEMBL160704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQIMFOZIUJUKKB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.83
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 7.41 | 7.41 | 38.9 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Adenosine A2 receptor CHEMBL2094257 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 11.0 | nM | 7.96 | Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes... | 1501234 |
| Adenosine receptor A1 | Ki | = | 38.9 | nM | 7.41 | Evaluated for binding affinity against Adenosine A1 receptor | 1542091 |
| Adenosine A2 receptor | Ki | = | 1200.0 | nM | 5.92 | Binding affinity against adenosine A2 receptor in rat striatal membranes using N... | 1501234 |
| Adenosine A2 receptor | Ki | = | 2700.0 | nM | 5.57 | Inhibition of 5'-(N-ethylcarbamoyl)adenosine-elicited stimulation of adenylate c... | 3346878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1501234 | 10.1021/jm00094a022 | Rattus norvegicus | 19 |
| 1501234 | 10.1021/jm00094a022 | Adenosine receptor A1 | 1 |
| 1501234 | 10.1021/jm00094a022 | Adenosine A2 receptor | 1 |
| 1501234 | 10.1021/jm00094a022 | Adenosine receptors; A1 & A2 | 1 |
| 1542091 | 10.1021/jm00082a003 | Adenosine receptor A1 | 1 |
| 3346878 | 10.1021/jm00398a020 | Adenosine receptor A1 | 1 |
| 3346878 | 10.1021/jm00398a020 | Adenosine A2 receptor | 1 |
| 3346878 | 10.1021/jm00398a020 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine