Compound Detail
CHEMBL72235
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Basic Information
| ChEMBL ID | CHEMBL72235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVJPURZBQCVJLP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.2
MW (Da)
3.11
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 1300.0 | nM | 5.89 | Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprag... | 2374150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374150 | 10.1021/jm00170a031 | Rattus norvegicus | 1 |
| 2374150 | 10.1021/jm00170a031 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine