Compound Detail
CHEMBL3955315
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CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL3955315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZDNDUISXIYTMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
662.8
MW (Da)
5.48
ALogP
12
HBA
2
HBD
134.8
PSA (Ų)
0.14
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 5.31 | 5.31 | 4930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Quinolone resistance protein NorA | IC50 | = | 4930.0 | nM | 5.31 | Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidiu... | 27977195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27977195 | 10.1021/acs.jmedchem.6b01281 | Quinolone resistance protein NorA | 3 |
| 27977195 | 10.1021/acs.jmedchem.6b01281 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine