Compound Detail
CHEMBL3342826
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Basic Information
| ChEMBL ID | CHEMBL3342826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUEAWPYWGRMQBZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
5.67
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL3038482 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 73000.0 | nM | 4.14 | Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-c... | 25238555 |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in dec... | 25238555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25238555 | 10.1021/jm5010682 | Staphylococcus aureus | 1 |
| 25238555 | 10.1021/jm5010682 | DNA gyrase | 1 |
| 25238555 | 10.1021/jm5010682 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine