Compound Detail
CHEMBL3327326
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Basic Information
| ChEMBL ID | CHEMBL3327326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRFYVOPZMBRDKK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.4
MW (Da)
4.97
ALogP
7
HBA
3
HBD
118.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 4.5 | nM | 8.35 | Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concen... | 25149511 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 8.8 | nM | 8.06 | Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concen... | 25149511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25149511 | 10.1016/j.bmcl.2014.07.016 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 25149511 | 10.1016/j.bmcl.2014.07.016 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 25149511 | 10.1016/j.bmcl.2014.07.016 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine