Compound Detail
CHEMBL454442
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Basic Information
| ChEMBL ID | CHEMBL454442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSKYVOLQZCXVJY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
1.93
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9640.0 | nM | 5.02 | Inhibition of Escherichia coli GyrB ATPase activity assessed as inorganic phosph... | 19095445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19095445 | 10.1016/j.bmcl.2008.11.102 | Unchecked | 2 |
| 19095445 | 10.1016/j.bmcl.2008.11.102 | Staphylococcus aureus | 1 |
| 19095445 | 10.1016/j.bmcl.2008.11.102 | Enterococcus faecalis | 1 |
| 19095445 | 10.1016/j.bmcl.2008.11.102 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine