Compound Detail
CHEMBL59996
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Basic Information
| ChEMBL ID | CHEMBL59996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFAHXLIVMRUENH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
4.68
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 79.43 | nM | 7.1 | inhibition of cAMP-specific phosphodiesterase 4 (PDE4) was determined in cytosol... | 12723963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723963 | 10.1021/jm030776l | Phosphodiesterase 3 | 1 |
| 12723963 | 10.1021/jm030776l | Phosphodiesterase 4 | 1 |
| 12723963 | 10.1021/jm030776l | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine