Compound Detail
CHEMBL39646
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Basic Information
| ChEMBL ID | CHEMBL39646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMROXYVFRHOXSS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.40
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 270.0 | nM | 6.57 | Binding affinity to A1 adenosine receptor from rat cortical membrane in presence... | 8182711 |
| Adenosine A2 receptor | Ki | = | 1100.0 | nM | 5.96 | Binding affinity to A2 adenosine receptor from rat striatal membrane in presence... | 8182711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182711 | 10.1021/jm00036a019 | Adenosine receptor A1 | 1 |
| 8182711 | 10.1021/jm00036a019 | Adenosine A2 receptor | 1 |
| 8182711 | 10.1021/jm00036a019 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine