Compound Detail
CHEMBL5630424
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Basic Information
| ChEMBL ID | CHEMBL5630424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPFGVIYVXGCXRU-ATJXCDBQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.78
ALogP
7
HBA
0
HBD
95.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.52 | 6.52 | 305.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 112.0 | nM | 6.95 | Inhibition of PDE4A1 (unknown origin) | 36796299 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 142.0 | nM | 6.85 | Inhibition of recombinant PDE7A1 (130 to 482 residues) (unknown origin) expresse... | 36796299 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 305.0 | nM | 6.52 | Inhibition of PDE4B1 (unknown origin) | 36796299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36796299 | 10.1016/j.ejmech.2023.115194 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine