Compound Detail
CHEMBL5182020
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Basic Information
| ChEMBL ID | CHEMBL5182020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALKLEJFDIFUWAN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.66
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 54.0 | nM | 7.27 | Antagonist activity at human adenosine A2A receptor | 35462165 |
| Adenosine receptor A2a | IC50 | = | 60.0 | nM | 7.22 | 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 |
| 35462165 | 10.1016/j.ejmech.2022.114378 | Adenosine receptor A2a | 1 |
| 35462165 | 10.1016/j.ejmech.2022.114378 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine