Compound Detail
CHEMBL84657
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COc1ccc(C2=NN(C3CCCCCC3)C(=O)C3CC=CCC23)cc1OCCCCOc1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL84657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZJUOKCCPBELOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.7
MW (Da)
6.66
ALogP
6
HBA
0
HBD
84.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 2.512 | nM | 8.6 | Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils | 11472206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472206 | 10.1021/jm010838c | Phosphodiesterase 4 | 1 |
| 11472206 | 10.1021/jm010838c | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine