Compound Detail
CHEMBL5564854
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Basic Information
| ChEMBL ID | CHEMBL5564854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXGQGAORSWRBFP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.8
MW (Da)
8.84
ALogP
4
HBA
3
HBD
65.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | EC50 | 8.27 | 7.67 | 5.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | EC50 | = | 5.37 | nM | 8.27 | Positive allosteric modulation of human A3 adenosine receptor transfected in HEK... | 38959401 |
| Adenosine receptor A3 | EC50 | = | 12.88 | nM | 7.89 | Positive allosteric modulation of human A3 adenosine receptor transfected in HEK... | 38959401 |
| Adenosine receptor A3 | EC50 | = | 141.25 | nM | 6.85 | Positive allosteric modulation of human A3 adenosine receptor transfected in HEK... | 38959401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38959401 | 10.1021/acs.jmedchem.4c00944 | Adenosine receptor A3 | 9 |
Data from ChEMBL 36 via Core Engine