Compound Detail
CHEMBL3403361
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3403361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRKCXJIRRPKWPM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.37
ALogP
7
HBA
1
HBD
69.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.38 | 6.38 | 420.0 | 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 | = | 4.6 | nM | 8.34 | Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3... | 25866242 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 420.0 | nM | 6.38 | 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