Compound Detail
CHEMBL4172781
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Basic Information
| ChEMBL ID | CHEMBL4172781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNXZLNYHPLJODW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.98
ALogP
6
HBA
1
HBD
55.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Quinolone resistance protein NorA | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of NorA in Staphylococcus aureus SA-1199B expressing GrlA A116E mutan... | 30067360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30067360 | 10.1021/acs.jmedchem.8b00791 | Staphylococcus aureus | 9 |
| 30067360 | 10.1021/acs.jmedchem.8b00791 | Quinolone resistance protein NorA | 4 |
| 30067360 | 10.1021/acs.jmedchem.8b00791 | HepG2 | 1 |
| 30067360 | 10.1021/acs.jmedchem.8b00791 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine