Compound Detail
CHEMBL273792
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O=C(NNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL273792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGNFISNMWNUNHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.3
MW (Da)
6.62
ALogP
2
HBA
4
HBD
82.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory concentration required against cell wall synthesis in Staphylococcus ... | 11354364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354364 | 10.1016/s0960-894x(01)00160-3 | Staphylococcus aureus | 1 |
| 11354364 | 10.1016/s0960-894x(01)00160-3 | Bacteria | 1 |
| 11354364 | 10.1016/s0960-894x(01)00160-3 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine