Compound Detail
CHEMBL4209680
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Cn1c(=O)c2c(nc(NCCc3ccccc3)n2CCCC(=O)N/N=C/c2ccc(O)c(O)c2O)n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL4209680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIAIMTAKVSGUFH-RWPZCVJISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
1.14
ALogP
12
HBA
5
HBD
176.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human GST-tagged PDE4B expressed in baculovirus infected Sf9 insec... | 29407965 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human GST-tagged PDE7A expressed in baculovirus infected Sf9 insec... | 29407965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407965 | 10.1016/j.ejmech.2018.01.068 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 29407965 | 10.1016/j.ejmech.2018.01.068 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 29407965 | 10.1016/j.ejmech.2018.01.068 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine