Compound Detail
CHEMBL3403354
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Basic Information
| ChEMBL ID | CHEMBL3403354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEKCVPTZFCPBPM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
2.07
ALogP
6
HBA
1
HBD
56.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 4.92 | 4.92 | 12000.0 | 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 | = | 430.0 | nM | 6.37 | Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3... | 25866242 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human PDE4B expressed in insect cells assessed as inhibition of [3... | 25866242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine