Compound Detail
CHEMBL222348
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Basic Information
| ChEMBL ID | CHEMBL222348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADASGIIHCQJGMX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.18
ALogP
6
HBA
3
HBD
114.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.82 | 6.995 | 15.0 | 2 |
| DNA gyrase CHEMBL3038482 | Ki | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 15.0 | nM | 7.82 | Inhibition of Escherichia coli DNA gyrase | 18690678 |
| DNA gyrase | Ki | = | 44.0 | nM | 7.36 | Inhibition of Staphylococcus aureus DNA gyrase | 18690678 |
| Unchecked | Ki | = | 680.0 | nM | 6.17 | Inhibition of Escherichia coli topoisomerase 4 | 18690678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17116675 | 10.1128/aac.00596-06 | Staphylococcus aureus | 17 |
| 17116675 | 10.1128/aac.00596-06 | Enterococcus faecalis | 6 |
| 17116675 | 10.1128/aac.00596-06 | Streptococcus pneumoniae | 5 |
| 17116675 | 10.1128/aac.00596-06 | Haemophilus influenzae | 5 |
| 18690678 | 10.1021/jm800318d | Staphylococcus aureus | 2 |
| 18690678 | 10.1021/jm800318d | Unchecked | 2 |
| 17116675 | 10.1128/aac.00596-06 | Escherichia coli | 1 |
| 18690678 | 10.1021/jm800318d | Haemophilus influenzae | 1 |
| 18690678 | 10.1021/jm800318d | Streptococcus pneumoniae | 1 |
| 18690678 | 10.1021/jm800318d | DNA gyrase | 1 |
Data from ChEMBL 36 via Core Engine