Compound Detail
CHEMBL519827
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Basic Information
| ChEMBL ID | CHEMBL519827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQCKNCFQOJFQFK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.7
MW (Da)
3.32
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Inhibition of PDE4 | 18457385 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia c... | 26908025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18457385 | 10.1021/jm8000373 | Unchecked | 1 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine