Compound Detail
CHEMBL457580
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Basic Information
| ChEMBL ID | CHEMBL457580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSJKENGAIRXRGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
0.99
ALogP
7
HBA
1
HBD
79.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 5.73 | 5.73 | 1867.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 1867.0 | nM | 5.73 | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK2... | 19140664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19140664 | 10.1021/jm800908d | Adenosine receptor A2a | 1 |
| 19140664 | 10.1021/jm800908d | Adenosine receptor A1 | 1 |
| 19140664 | 10.1021/jm800908d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine