Compound Detail
CHEMBL570033
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Basic Information
| ChEMBL ID | CHEMBL570033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UURQFLKKSYYPEF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
5.36
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Ki 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 6.69 | 6.69 | 203.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.96 | 4.96 | 11000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 203.0 | nM | 6.69 | Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expr... | 19660947 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay | 19660947 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human ERG in L929 cells by whole cell patch-clamp assay | 19660947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 3 |
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Cavia porcellus | 3 |
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine