Compound Detail
CHEMBL4747406
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Cc1sc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)NC1CCC(O)CC1
Basic Information
| ChEMBL ID | CHEMBL4747406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWKSJIDTPCVZHN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
565.6
MW (Da)
5.02
ALogP
8
HBA
3
HBD
130.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.61 | 7.61 | 24.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.26 | 54.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 24.7 | nM | 7.61 | Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins follo... | 27713015 |
| Unchecked | IC50 | = | 54.4 | nM | 7.26 | Inhibition of PDE-4 in human PBMC assessed as LPS-induced TNFalpha production in... | 27713015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27713015 | 10.1016/j.bmc.2016.09.011 | 3',5'-cyclic-AMP phosphodiesterase 4B | 3 |
| 27713015 | 10.1016/j.bmc.2016.09.011 | Unchecked | 3 |
| 27713015 | 10.1016/j.bmc.2016.09.011 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine