Compound Detail
CHEMBL3354160
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 | CHEMBL3354160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAIGGAVXXQBABU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
2.83
ALogP
5
HBA
1
HBD
46.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.31 | 5.31 | 4900.0 | 2 |
| Lymphocyte CHEMBL612599 | IC50 | 5.27 | 5.27 | 5400.0 | 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 | = | 150.0 | nM | 6.82 | Inhibition of PDE7A (unknown origin) | 25529739 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [... | 25383422 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of PDE4B (unknown origin) | 25529739 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of human PDE4B1 expressed in insect cells assessed as inhibition of [... | 25383422 |
| Lymphocyte | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of IL2 production in activated mouse lymphocytes after 3 hrs by ELISA | 25383422 |
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 |
| 25383422 | 10.1021/jm5008215 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 25383422 | 10.1021/jm5008215 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 25383422 | 10.1021/jm5008215 | Lymphocyte | 1 |
| 25383422 | 10.1021/jm5008215 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine