Compound Detail
CHEMBL81960
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Basic Information
| ChEMBL ID | CHEMBL81960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPNSPIATZGICGL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.26
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.1 | 8.1 | 7.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils | 11472206 |
| Phosphodiesterase 4 | IC50 | = | 7.943 | nM | 8.1 | Inhibitory concentration against phosphodiesterase 4 (PDE4) in cytosol of human ... | 12036360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472206 | 10.1021/jm010838c | Phosphodiesterase 4 | 1 |
| 11472206 | 10.1021/jm010838c | Phosphodiesterase 3 | 1 |
| 12036360 | 10.1021/jm0110340 | Phosphodiesterase 4 | 1 |
| 12036360 | 10.1021/jm0110340 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine