Compound Detail
CHEMBL3343216
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Basic Information
| ChEMBL ID | CHEMBL3343216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJMXYBNPVQWRDZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
6.50
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 210.0 | nM | 6.68 | Displacement of [3H]astemizole from human ERG expressed in HEK293 cells by scint... | 25238555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25238555 | 10.1021/jm5010682 | Staphylococcus aureus | 8 |
| 25238555 | 10.1021/jm5010682 | DNA gyrase | 2 |
| 25238555 | 10.1021/jm5010682 | Escherichia coli | 2 |
| 25238555 | 10.1021/jm5010682 | Unchecked | 1 |
| 25238555 | 10.1021/jm5010682 | Enterococcus faecium | 1 |
| 25238555 | 10.1021/jm5010682 | Enterococcus faecalis | 1 |
| 25238555 | 10.1021/jm5010682 | Mycobacterium tuberculosis | 1 |
| 25238555 | 10.1021/jm5010682 | Acinetobacter baumannii | 1 |
| 25238555 | 10.1021/jm5010682 | Klebsiella pneumoniae | 1 |
| 25238555 | 10.1021/jm5010682 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine