Compound Detail
CHEMBL442176
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Basic Information
| ChEMBL ID | CHEMBL442176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUJWOLVLCIXWRX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
3.26
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Phosphodiesterase 1 CHEMBL2111322 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 57.0 | nM | 7.24 | Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprag... | 2374150 |
| Rattus norvegicus | IC50 | = | 370.0 | nM | 6.43 | Evaluated for Ca++ independent phosphodiesterase activity. | 2374150 |
| Adenosine A2 receptor | IC50 | = | 3900.0 | nM | 5.41 | Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora ... | 2374150 |
| Phosphodiesterase 1 | IC50 | = | 24000.0 | nM | 4.62 | Evaluated for Ca++ dependent phosphodiesterase activity. | 2374150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374150 | 10.1021/jm00170a031 | Rattus norvegicus | 2 |
| 2374150 | 10.1021/jm00170a031 | Adenosine receptor A1 | 1 |
| 2374150 | 10.1021/jm00170a031 | Adenosine A2 receptor | 1 |
| 2374150 | 10.1021/jm00170a031 | Phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine