Compound Detail
CHEMBL5182250
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Basic Information
| ChEMBL ID | CHEMBL5182250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQEUVIGFWWXQIW-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.99
ALogP
8
HBA
2
HBD
102.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.44
Ki 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | IC50 | 10.44 | 10.44 | 0.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 7.97 | 7.97 | 10.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | IC50 | = | 0.036 | nM | 10.44 | Inverse agonist activity at human A2A receptor assessed as inhibition of selecti... | 34695776 |
| Adenosine receptor A2a | Ki | = | 10.6 | nM | 7.97 | Binding affinity to human adenosine A2A receptor | 34695776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34695776 | 10.1016/j.ejmech.2021.113907 | Adenosine receptor A2a | 5 |
Data from ChEMBL 36 via Core Engine