Compound Detail
CHEMBL4177330
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Basic Information
| ChEMBL ID | CHEMBL4177330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWNOBZXEHMMKES-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
6.77
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Quinolone resistance protein NorA | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of Staphylococcus aureus SA-1199B NorA assessed as reduction in EtBr ... | 29908437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29908437 | 10.1016/j.ejmech.2018.06.013 | Quinolone resistance protein NorA | 5 |
| 29908437 | 10.1016/j.ejmech.2018.06.013 | Staphylococcus aureus | 4 |
| 29908437 | 10.1016/j.ejmech.2018.06.013 | Unchecked | 1 |
| 29908437 | 10.1016/j.ejmech.2018.06.013 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine