Compound Detail
CHEMBL3354180
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Basic Information
| ChEMBL ID | CHEMBL3354180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFJQWGBAKVNZJJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
4.33
ALogP
7
HBA
1
HBD
59.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 6.0 | 6.0 | 1000.0 | 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 | = | 2.3 | nM | 8.64 | Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [... | 25383422 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human PDE4B1 expressed in insect cells assessed as inhibition of [... | 25383422 |
| Lymphocyte | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of IL2 production in activated mouse lymphocytes after 3 hrs by ELISA | 25383422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25383422 | 10.1021/jm5008215 | Liver microsome | 2 |
| 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 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine