Compound Detail
CHEMBL42479
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Basic Information
| ChEMBL ID | CHEMBL42479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWMBPADFEBNIHV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.7
MW (Da)
4.56
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.95 | 5.95 | 1119.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of rolipram binding to PDE4 of rat brain | 12039576 |
| Phosphodiesterase 4 | IC50 | = | 1120.0 | nM | 5.95 | Inhibition of Phosphodiesterase 4 from human U937 cells | 12039576 |
| Phosphodiesterase 4 | IC50 | = | 1119.44 | nM | 5.95 | Inhibition of PDE4 in Homo sapiens (human) U937 cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12039576 | 10.1016/s0960-894x(02)00225-1 | Phosphodiesterase 4 | 3 |
| - | 10.1007/s00044-012-0457-4 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine