Compound Detail
CHEMBL5177144
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Basic Information
| ChEMBL ID | CHEMBL5177144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOPLDXFLVKZHMD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
0.47
ALogP
7
HBA
1
HBD
110.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 10.29 | 10.29 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.051 | nM | 10.29 | Binding affinity to human adenosine A1A receptor measured by radioligand-based a... | 34695776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34695776 | 10.1016/j.ejmech.2021.113907 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine