Compound Detail
CHEMBL4217546
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Cn1c(=O)c2c(nc(NCc3ccccc3)n2CCCC(=O)N/N=C/c2ccc(O)cc2O)n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL4217546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDZYRQDMSBPDEW-JFLMPSFJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.5
MW (Da)
1.39
ALogP
11
HBA
4
HBD
155.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of human GST-tagged PDE4B 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 |
Data from ChEMBL 36 via Core Engine