Compound Detail
CHEMBL3403346
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Basic Information
| ChEMBL ID | CHEMBL3403346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSIAQFSEAYCSKV-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
3.63
ALogP
7
HBA
1
HBD
80.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 7 CHEMBL2111411 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 3.3 | nM | 8.48 | Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3... | 25866242 |
| Phosphodiesterase 7 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of PDE7 (unknown origin) | 36796299 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 46.0 | nM | 7.34 | Inhibition of human PDE4B expressed in insect cells assessed as inhibition of [3... | 25866242 |
| Phosphodiesterase 4 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of PDE4 (unknown origin) by fluorescent based assay | 36796299 |
| Lymphocyte | IC50 | = | 150.0 | nM | 6.82 | Inhibition of IL2 production in activated mouse lymphocytes after 3 hrs by ELISA | 25866242 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of PDE3A (unknown origin) | 25866242 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of PDE5A (unknown origin) | 25866242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25866242 | 10.1016/j.bmcl.2015.03.031 | Mus musculus | 2 |
| 25866242 | 10.1016/j.bmcl.2015.03.031 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 25866242 | 10.1016/j.bmcl.2015.03.031 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 25866242 | 10.1016/j.bmcl.2015.03.031 | No relevant target | 1 |
| 25866242 | 10.1016/j.bmcl.2015.03.031 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 25866242 | 10.1016/j.bmcl.2015.03.031 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 25866242 | 10.1016/j.bmcl.2015.03.031 | Lymphocyte | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 7 | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | Phosphodiesterase 4 | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine