Compound Detail
CHEMBL3344385
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 | CHEMBL3344385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMGTWSUSNAFUEV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.77
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| DNA gyrase CHEMBL3038482 | IC50 | 4.3 | 4.3 | 50000.0 | 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 | = | 140.0 | nM | 6.85 | Displacement of [3H]astemizole from human ERG expressed in HEK293 cells by scint... | 25238555 |
| DNA gyrase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-c... | 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