Compound Detail
CHEMBL3775507
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Basic Information
| ChEMBL ID | CHEMBL3775507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKWPWYCQMSTPOB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.87
ALogP
6
HBA
2
HBD
86.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 4.77 | 4.77 | 17100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Quinolone resistance protein NorA | IC50 | = | 17100.0 | nM | 4.77 | Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduct... | 26757340 |
| Quinolone resistance protein NorA | IC50 | = | 17100.0 | nM | 4.77 | Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidiu... | 27977195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26757340 | 10.1021/acs.jmedchem.5b01219 | Quinolone resistance protein NorA | 2 |
| 27977195 | 10.1021/acs.jmedchem.6b01281 | Quinolone resistance protein NorA | 2 |
| 26757340 | 10.1021/acs.jmedchem.5b01219 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine