Compound Detail
CHEMBL4528161
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O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=S)Nc4cc(Cl)cc(Cl)c4)CC3)c(F)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL4528161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAEDAKSUKTUOBU-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.4
MW (Da)
5.00
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | EC50 | 7.37 | 6.306 | 43.0 | 5 |
| Escherichia coli CHEMBL354 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | EC50 | = | 43.0 | nM | 7.37 | Potentiation of ciprofloxacin-induced antibacterial activity against methicillin... | 31307763 |
| Staphylococcus aureus | EC50 | = | 84.0 | nM | 7.08 | Antibacterial activity against Staphylococcus aureus SH1000 incubated for 18 hrs... | 31307763 |
| Escherichia coli | EC50 | = | 420.0 | nM | 6.38 | Antibacterial activity against Escherichia coli K-12 BW25113 incubated for 18 hr... | 31307763 |
| Staphylococcus aureus | EC50 | = | 800.0 | nM | 6.1 | Potentiation of mitomycin-c-induced antibacterial activity against methicillin r... | 31307763 |
| Staphylococcus aureus | EC50 | = | 2900.0 | nM | 5.54 | Potentiation of H2O2-induced antibacterial activity against methicillin resistan... | 31307763 |
| Staphylococcus aureus | EC50 | = | 3600.0 | nM | 5.44 | Antibacterial activity against methicillin resistant Staphylococcus aureus USA30... | 31307763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31307763 | 10.1016/j.bmc.2019.06.025 | Staphylococcus aureus | 6 |
| 31307763 | 10.1016/j.bmc.2019.06.025 | Escherichia coli | 1 |
| 31307763 | 10.1016/j.bmc.2019.06.025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine