Compound Detail
CHEMBL571171
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COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL571171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTHSCSZFMKBAET-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
5.22
ALogP
6
HBA
2
HBD
111.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 9.2 | 9.2 | 0.6 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.631 | nM | 9.2 | Inhibition of human recombinant PDE4B by scintillation proximity assay | 19656678 |
| PBMC | IC50 | = | 15.85 | nM | 7.8 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 19656678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19656678 | 10.1016/j.bmcl.2009.04.012 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 19656678 | 10.1016/j.bmcl.2009.04.012 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine