Compound Detail
CHEMBL435628
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COCCN(CCOC)Cc1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccc(Br)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL435628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHRKGKRKRYDLCE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
638.4
MW (Da)
6.41
ALogP
6
HBA
2
HBD
80.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.81 | 5.81 | 1560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 1560.0 | nM | 5.81 | Concentration that inhibits 50% growth of methicillin resistant Staphylococcus a... | 14643347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643347 | 10.1016/j.bmcl.2003.09.013 | Mus musculus | 4 |
| 14643347 | 10.1016/j.bmcl.2003.09.013 | Staphylococcus aureus | 2 |
| 14643347 | 10.1016/j.bmcl.2003.09.013 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine