Compound Detail
CHEMBL456171
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL456171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYQHRABKRQWTBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.7
MW (Da)
4.99
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 9.35 | 9.35 | 0.5 | 1 |
| Blood CHEMBL613416 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 0.45 | nM | 9.35 | Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells | 18835163 |
| Blood | IC50 | = | 180.0 | nM | 6.75 | Inhibition of LPS-induced TNFalpha production in human whole blood | 18835163 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 198.0 | nM | 6.7 | 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