Compound Detail
CHEMBL177782
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Basic Information
| ChEMBL ID | CHEMBL177782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLFOGUJARWOELP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
2.64
ALogP
7
HBA
1
HBD
91.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 4.3 | nM | 8.37 | In vitro ability to displace [3H]SCH-58261 from A2A adenosine receptor in Rat | 15978806 |
| Adenosine receptor A2a | Ki | = | 4.3 | nM | 8.37 | Binding affinity to human adenosine A2A receptor | 18637670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15978806 | 10.1016/j.bmcl.2005.05.086 | Adenosine receptor A2a | 1 |
| 15978806 | 10.1016/j.bmcl.2005.05.086 | Adenosine receptors; A1 & A2a | 1 |
| 18637670 | 10.1021/jm701594y | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine