Compound Detail
CHEMBL5207175
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Basic Information
| ChEMBL ID | CHEMBL5207175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWXVKWYITIOGQY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.16
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | IC50 | = | 1670.0 | nM | 5.78 | Antagonist activity at human adenosine A2A receptor | 34695776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34695776 | 10.1016/j.ejmech.2021.113907 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine