Compound Detail
CHEMBL370220
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Basic Information
| ChEMBL ID | CHEMBL370220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZXLYACBALMEJP-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
5.69
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 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 | 8.52 | 8.52 | 3.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 7.92 | 7.92 | 11.9 | 1 |
| Blood CHEMBL613416 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 2000.0 | nM | Mustela putorius furo |
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 | Inhibitory activity against PDE4D | 16168647 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against PDE4B | 16168647 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 5.6 | nM | 8.25 | Inhibitory activity against PDE4A | 16168647 |
| Phosphodiesterase 4 | IC50 | = | 7.8 | nM | 8.11 | Inhibition of LPS-induced TNFalpha production in human whole blood | 16168647 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 11.9 | nM | 7.92 | Inhibitory activity against PDE4C | 16168647 |
| Blood | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of TNFalpha release in human whole blood | 18686943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Phosphodiesterase 4 | 3 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Ovis aries | 2 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Cavia porcellus | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Mustela putorius furo | 1 |
| 18686943 | 10.1021/jm800582j | Blood | 1 |
| 18686943 | 10.1021/jm800582j | Mustela putorius furo | 1 |
Data from ChEMBL 36 via Core Engine