Compound Detail
CHEMBL28559
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Basic Information
| ChEMBL ID | CHEMBL28559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSQKCRVZRWFRMC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
1.06
ALogP
6
HBA
1
HBD
89.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.79
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 4.79 | 4.79 | 16400.0 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | Ki | 4.64 | 4.64 | 23100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 60.0 | nM | 7.22 | Effective concentration required in vitro for tracheal muscle (from male Hartley... | 8496906 |
| Phosphodiesterase 4 | Ki | = | 16400.0 | nM | 4.79 | Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal... | 8496906 |
| Adenosine receptor A1 | Ki | = | 23100.0 | nM | 4.64 | Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]CPX ... | 8496906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496906 | 10.1021/jm00062a010 | Cavia porcellus | 4 |
| 8496906 | 10.1021/jm00062a010 | NON-PROTEIN TARGET | 2 |
| 8496906 | 10.1021/jm00062a010 | Phosphodiesterase 4 | 1 |
| 8496906 | 10.1021/jm00062a010 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine