Compound Detail
CHEMBL199517
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Basic Information
| ChEMBL ID | CHEMBL199517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKUKXCAEBJCOGI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
1.91
ALogP
6
HBA
1
HBD
60.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL2094139 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| DNA topoisomerase 4 subunit A CHEMBL4088 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922 | 16392790 |
| DNA topoisomerase 4 subunit A | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213 | 16392790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392790 | 10.1021/jm051066d | DNA gyrase | 2 |
| 16392790 | 10.1021/jm051066d | Escherichia coli | 1 |
| 16392790 | 10.1021/jm051066d | Staphylococcus aureus | 1 |
| 16392790 | 10.1021/jm051066d | DNA topoisomerase 4 subunit A | 1 |
| 16392790 | 10.1021/jm051066d | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine