Compound Detail
CHEMBL46321
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Basic Information
| ChEMBL ID | CHEMBL46321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGKGAGMPKNULQW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.27
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.84 | 6.215 | 145.0 | 2 |
| Phosphodiesterase 4A CHEMBL3333 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 145.0 | nM | 6.84 | Inhibition of solubilized eosinophil PDE IV | 8201604 |
| Phosphodiesterase 4 | IC50 | = | 2566.0 | nM | 5.59 | Inhibition of guinea pig PDE IV | 8201604 |
| Phosphodiesterase 4A | IC50 | = | 2600.0 | nM | 5.58 | Inhibitory potency against pig aortic PDE IV | 8201604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201604 | 10.1021/jm00037a021 | Cavia porcellus | 3 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4 | 2 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 1 | 1 |
| 8201604 | 10.1021/jm00037a021 | Unchecked | 1 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4A | 1 |
| 8201604 | 10.1021/jm00037a021 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine