Compound Detail
CHEMBL74248
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Basic Information
| ChEMBL ID | CHEMBL74248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFVRBRLUUQLTAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
5.69
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.28 | 5.28 | 5240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 5240.0 | nM | 5.28 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691424 | 10.1021/jm950923i | Adenosine receptor A1 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine A2 receptor | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptors; A1 & A3 | 1 |
| 469554 | 10.1021/np50001a002 | KB | 1 |
| 469554 | 10.1021/np50001a002 | CCRF S-180 | 1 |
Data from ChEMBL 36 via Core Engine