Compound Detail
CHEMBL218653
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Basic Information
| ChEMBL ID | CHEMBL218653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEMQXLVYSIOKKQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.9
MW (Da)
4.70
ALogP
5
HBA
0
HBD
48.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human recombinant PDE4D | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human recombinant PDE4B | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human recombinant PDE4A | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 77.0 | nM | 7.11 | Inhibition of human recombinant PDE4C | 17228876 |
| Unchecked | IC50 | = | 290.0 | nM | 6.54 | Inhibition of human eosinophil phosphodiesterase | 17228876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228876 | 10.1021/jm060904g | Unchecked | 1 |
| 17228876 | 10.1021/jm060904g | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 17228876 | 10.1021/jm060904g | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 17228876 | 10.1021/jm060904g | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 17228876 | 10.1021/jm060904g | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine