Compound Detail
CHEMBL456808
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Basic Information
| ChEMBL ID | CHEMBL456808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWRKOHJFBNPLNJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.59
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 8.81 | 8.81 | 1.5 | 1 |
| Blood CHEMBL613416 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 1.54 | nM | 8.81 | Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells | 18835163 |
| Blood | IC50 | = | 840.0 | nM | 6.08 | Inhibition of LPS-induced TNFalpha production in human whole blood | 18835163 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2700.0 | nM | 5.57 | Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells | 18835163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835163 | 10.1016/j.bmcl.2008.09.009 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 18835163 | 10.1016/j.bmcl.2008.09.009 | Blood | 1 |
| 18835163 | 10.1016/j.bmcl.2008.09.009 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine