Compound Detail
CHEMBL139396
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Basic Information
| ChEMBL ID | CHEMBL139396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWHJKWMNNCFZSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.3
MW (Da)
4.75
ALogP
4
HBA
3
HBD
74.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.68 | 5.68 | 2070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 2070.0 | nM | 5.68 | 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 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine