Compound Detail
CHEMBL379022
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Basic Information
| ChEMBL ID | CHEMBL379022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOQKPULBJQSJFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.75
ALogP
5
HBA
1
HBD
67.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase 4 subunit A CHEMBL4088 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase 4 subunit A | IC50 | = | 3500.0 | nM | 5.46 | Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4 | 16337789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16337789 | 10.1016/j.bmcl.2005.11.064 | Staphylococcus aureus | 2 |
| 16337789 | 10.1016/j.bmcl.2005.11.064 | DNA topoisomerase 4 subunit A | 1 |
| 16337789 | 10.1016/j.bmcl.2005.11.064 | Escherichia coli | 1 |
| 16337789 | 10.1016/j.bmcl.2005.11.064 | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine