Compound Detail
CHEMBL138573
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O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(-c2ccncc2)nn1-c1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL138573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRAPWJGDMPYFRU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
559.4
MW (Da)
7.63
ALogP
4
HBA
2
HBD
71.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 214.0 | nM | 6.67 | 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