Compound Detail
CHEMBL4561428
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Basic Information
| ChEMBL ID | CHEMBL4561428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKNXGHSIYQVARV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.9
MW (Da)
4.92
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.88 | 6.29 | 133.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 98.0 | nM | 7.01 | Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed i... | 31013090 |
| Unchecked | IC50 | = | 133.0 | nM | 6.88 | Inhibition of recombinant human His6-tagged PDE4D7 UCR1 S129D mutant expressed i... | 31013090 |
| Unchecked | IC50 | = | 1991.0 | nM | 5.7 | Inhibition of recombinant human wild-type His6-tagged PDE4D7 UCR1 domain (S129 r... | 31013090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31013090 | 10.1021/acs.jmedchem.9b00193 | Unchecked | 4 |
| 31013090 | 10.1021/acs.jmedchem.9b00193 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine