Compound Detail
CHEMBL1224721
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Basic Information
| ChEMBL ID | CHEMBL1224721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKNJREMNOZKXPS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.95
ALogP
4
HBA
0
HBD
55.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.06 | 7.06 | 86.5 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 6.38 | 6.38 | 414.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human PDE4D | 20709547 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 86.5 | nM | 7.06 | Inhibition of human PDE4B | 20709547 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 122.0 | nM | 6.91 | Inhibition of human PDE4A | 20709547 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 414.0 | nM | 6.38 | Inhibition of human PDE4C | 20709547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20709547 | 10.1016/j.bmcl.2010.07.076 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 20709547 | 10.1016/j.bmcl.2010.07.076 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 20709547 | 10.1016/j.bmcl.2010.07.076 | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 20709547 | 10.1016/j.bmcl.2010.07.076 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 20709547 | 10.1016/j.bmcl.2010.07.076 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine