Compound Detail
CHEMBL218103
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Basic Information
| ChEMBL ID | CHEMBL218103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHIVEUQACADDGU-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.67
ALogP
5
HBA
0
HBD
48.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 484.93 | nM | Mustela putorius furo |
| F | 12.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human recombinant PDE4B | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant PDE4D | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human recombinant PDE4A | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human recombinant PDE4C | 17228876 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human eosinophil phosphodiesterase | 17228876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228876 | 10.1021/jm060904g | Mustela putorius furo | 3 |
| 17228876 | 10.1021/jm060904g | Unchecked | 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 |
| 17228876 | 10.1021/jm060904g | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 17228876 | 10.1021/jm060904g | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine