Compound Detail
CHEMBL39770
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Basic Information
| ChEMBL ID | CHEMBL39770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBGRULNDEDUAGX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.44
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 45.0 | nM | 7.35 | Binding affinity against A1 adenosine receptors of the central nervous system | 3016270 |
| Adenosine A2 receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity against A2 adenosine receptors of the central nervous system | 3016270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3016270 | 10.1021/jm00158a034 | Adenosine receptor A1 | 1 |
| 3016270 | 10.1021/jm00158a034 | Adenosine A2 receptor | 1 |
| 3016270 | 10.1021/jm00158a034 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine