Compound Detail
CHEMBL218990
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Basic Information
| ChEMBL ID | CHEMBL218990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXORHWSQSORRGH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.44
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human recombinant PDE4D | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human recombinant PDE4B | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human recombinant PDE4A | 17228876 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human recombinant PDE4C | 17228876 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | 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