Compound Detail
CHEMBL380696
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Basic Information
| ChEMBL ID | CHEMBL380696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYGQUNHPYQJBTQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.18
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL2094139 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| DNA topoisomerase 4 subunit A CHEMBL4088 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against wild type Escherichia coli gyrase | 16337791 |
| DNA topoisomerase 4 subunit A | IC50 | = | 7200.0 | nM | 5.14 | Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4 | 16337791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16337791 | 10.1016/j.bmcl.2005.11.065 | Staphylococcus aureus | 2 |
| 16337791 | 10.1016/j.bmcl.2005.11.065 | Escherichia coli | 1 |
| 16337791 | 10.1016/j.bmcl.2005.11.065 | HEp-2 | 1 |
| 16337791 | 10.1016/j.bmcl.2005.11.065 | DNA gyrase | 1 |
| 16337791 | 10.1016/j.bmcl.2005.11.065 | DNA topoisomerase 4 subunit A | 1 |
| 16337791 | 10.1016/j.bmcl.2005.11.065 | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine