Compound Detail
CHEMBL127944
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Basic Information
| ChEMBL ID | CHEMBL127944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRSKAWJXBDACRF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.80
ALogP
4
HBA
0
HBD
68.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 10.15 | 10.15 | 0.1 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 10.15 | 10.15 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 0.07 | nM | 10.15 | Inhibition of recombinant human PDE4A expressed in Sf9 cells | 11052785 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.07 | nM | 10.15 | Inhibition of recombinant human PDE4B catalytic domain expressed in baculovirus ... | 26908025 |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human PDE4D7 catalytic domain expressed in baculovirus... | 26908025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052785 | 10.1021/jm000065c | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 11052785 | 10.1021/jm000065c | Phosphodiesterase 4 | 1 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | Unchecked | 1 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine