Compound Detail
CHEMBL245848
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Basic Information
| ChEMBL ID | CHEMBL245848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDAJDUOUMGSWSD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
2.15
ALogP
11
HBA
1
HBD
115.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 10.0 | 10.0 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 0.1 | nM | 10.0 | Antagonist activity at human adenosine A2A receptor | 17234414 |
| Adenosine receptor A2a | Ki | = | 0.1 | nM | 10.0 | Binding affinity to human adenosine A2A receptor | 18637670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234414 | 10.1016/j.bmcl.2006.12.104 | Adenosine receptor A2a | 1 |
| 17234414 | 10.1016/j.bmcl.2006.12.104 | Unchecked | 1 |
| 18637670 | 10.1021/jm701594y | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine