Compound Detail
CHEMBL165760
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Basic Information
| ChEMBL ID | CHEMBL165760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMDXVKQTGSLYAW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.69
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.7 | 7.7 | 20.0 | 2 |
| Adenosine receptor A2a CHEMBL302 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 20.0 | nM | 7.7 | Binding affinity towards human recombinant adenosine A2A receptor by displacemen... | 14741297 |
| Adenosine receptor A2a | Ki | = | 20.0 | nM | 7.7 | Binding affinity to human adenosine A2A receptor | 18637670 |
| Adenosine receptor A2a | Ki | = | 90.0 | nM | 7.05 | Binding affinity for rat adenosine A2A receptor by displacement of [3H]SCH-58261 | 14741297 |
| Adenosine receptor A1 | Ki | = | 1700.0 | nM | 5.77 | Binding affinity for human adenosine A1 receptor by displacement of [3H]DPCPX | 14741297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741297 | 10.1016/j.bmcl.2003.09.095 | Adenosine receptor A2a | 2 |
| 14741297 | 10.1016/j.bmcl.2003.09.095 | Adenosine receptor A1 | 1 |
| 14741297 | 10.1016/j.bmcl.2003.09.095 | Adenosine receptors; A1 & A2a | 1 |
| 14741297 | 10.1016/j.bmcl.2003.09.095 | Unchecked | 1 |
| 18637670 | 10.1021/jm701594y | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine