Compound Detail
CHEMBL3360171
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Basic Information
| ChEMBL ID | CHEMBL3360171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVOSPTOWEQEYQB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
3.48
ALogP
8
HBA
2
HBD
100.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.75 | 6.75 | 180.0 | 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 | = | 1.2 | nM | 8.92 | Inhibition of PDE7A (unknown origin) | 25529739 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 37.0 | nM | 7.43 | Inhibition of PDE3A (unknown origin) | 25529739 |
| Lymphocyte | IC50 | = | 130.0 | nM | 6.89 | Inhibition of IL2 production from mouse activated lymphocytes | 25529739 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 180.0 | nM | 6.75 | Inhibition of PDE4B (unknown origin) | 25529739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25529739 | 10.1016/j.bmcl.2014.11.090 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | No relevant target | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | Lymphocyte | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine