Compound Detail
CHEMBL4850124
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Basic Information
| ChEMBL ID | CHEMBL4850124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLCKPYIQPLGTCI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.2
MW (Da)
3.88
ALogP
4
HBA
3
HBD
95.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL2094139 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| DNA gyrase CHEMBL3038482 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 19.0 | nM | 7.72 | Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of... | 33524686 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of Escherichia coli topoisomerase assessed as reduction in relaxation... | 33524686 |
| DNA gyrase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation ... | 33524686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33524686 | 10.1016/j.ejmech.2021.113200 | DNA gyrase | 2 |
| 33524686 | 10.1016/j.ejmech.2021.113200 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine