Compound Detail
CHEMBL5176331
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Basic Information
| ChEMBL ID | CHEMBL5176331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOYJNWLSAZAWII-WYAMSBGYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.32
ALogP
7
HBA
1
HBD
65.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL3038482 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Topoisomerase IV CHEMBL3038508 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 680.0 | nM | 6.17 | Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pNO1 ... | 34906671 |
| Topoisomerase IV | IC50 | = | 1810.0 | nM | 5.74 | Inhibition of Staphylococcus aureus topoisomerase 4 using pNO1 plasmid DNA as su... | 34906671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34906671 | 10.1016/j.bmcl.2021.128499 | Staphylococcus aureus | 4 |
| 34906671 | 10.1016/j.bmcl.2021.128499 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 34906671 | 10.1016/j.bmcl.2021.128499 | DNA gyrase | 1 |
| 34906671 | 10.1016/j.bmcl.2021.128499 | Topoisomerase IV | 1 |
Data from ChEMBL 36 via Core Engine