Compound Detail
CHEMBL210840
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Basic Information
| ChEMBL ID | CHEMBL210840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTBNQNSSWODNLN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.28
ALogP
4
HBA
1
HBD
90.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human GST-PDE4B | 16516471 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 74.0 | nM | 7.13 | Inhibition of human GST-PDE4D | 16516471 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 78.0 | nM | 7.11 | Inhibition of human GST-PDE4A | 16516471 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 490.0 | nM | 6.31 | Inhibition of human GST-PDE4C | 16516471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16516471 | 10.1016/j.bmcl.2006.02.043 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 16516471 | 10.1016/j.bmcl.2006.02.043 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 16516471 | 10.1016/j.bmcl.2006.02.043 | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 16516471 | 10.1016/j.bmcl.2006.02.043 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine