Compound Detail
CHEMBL5170337
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Basic Information
| ChEMBL ID | CHEMBL5170337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJWZPYAJTCEKDL-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.42
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 9.66 | 9.66 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 0.22 | nM | 9.66 | Antagonist activity at human adenosine A2A receptor | 35462165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35462165 | 10.1016/j.ejmech.2022.114378 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine