Compound Detail
CHEMBL4520584
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Basic Information
| ChEMBL ID | CHEMBL4520584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEDXUERKUXWCCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
5.26
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.93 | 5.93 | 1165.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.79 | 5.79 | 1642.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1165.0 | nM | 5.93 | Inhibition of recombinant human His6-tagged PDE4D7 UCR1 S129D mutant expressed i... | 31013090 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 1642.0 | nM | 5.79 | Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed i... | 31013090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31013090 | 10.1021/acs.jmedchem.9b00193 | Unchecked | 3 |
| 31013090 | 10.1021/acs.jmedchem.9b00193 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine