Compound Detail
CHEMBL487852
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL487852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIIRMLRBGBCXMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.95
ALogP
5
HBA
3
HBD
100.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL3038482 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | Ki | = | 15.0 | nM | 7.82 | Inhibition of Staphylococcus aureus DNA gyrase | 18690678 |
| Unchecked | Ki | = | 46.0 | nM | 7.34 | Inhibition of Escherichia coli topoisomerase 4 | 18690678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18690678 | 10.1021/jm800318d | Staphylococcus aureus | 2 |
| 18690678 | 10.1021/jm800318d | Unchecked | 2 |
| 24685546 | 10.1016/j.bmcl.2014.03.022 | Staphylococcus aureus | 2 |
| 25317480 | 10.1021/jm500563g | Staphylococcus aureus | 2 |
| 18690678 | 10.1021/jm800318d | Haemophilus influenzae | 1 |
| 18690678 | 10.1021/jm800318d | Streptococcus pneumoniae | 1 |
| 18690678 | 10.1021/jm800318d | DNA gyrase | 1 |
| 25317480 | 10.1021/jm500563g | Streptococcus pneumoniae | 1 |
| 25317480 | 10.1021/jm500563g | Enterococcus faecalis | 1 |
| 25317480 | 10.1021/jm500563g | Enterococcus faecium | 1 |
| 25317480 | 10.1021/jm500563g | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine