Compound Detail
CHEMBL82589
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Basic Information
| ChEMBL ID | CHEMBL82589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFLHGBYHEGLLNJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.15
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 9.72 | 9.72 | 0.2 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.19 | nM | 9.72 | Tested for binding affinity against Adenosine A1 receptor from rat forebrain mem... | 8355252 |
| Adenosine receptor A1 | Ki | = | 1.3 | nM | 8.89 | Binding affinity against Adenosine A1 receptor from guinea pig forebrain membran... | 8355252 |
| Adenosine A2 receptor | Ki | = | 380.0 | nM | 6.42 | Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ... | 8355252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355252 | 10.1021/jm00069a009 | Mus musculus | 10 |
| 8355252 | 10.1021/jm00069a009 | Rattus norvegicus | 9 |
| 8355252 | 10.1021/jm00069a009 | Adenosine receptor A1 | 2 |
| 8355252 | 10.1021/jm00069a009 | Adenosine A2 receptor | 1 |
| 8355252 | 10.1021/jm00069a009 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine