Compound Detail
CHEMBL402069
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Basic Information
| ChEMBL ID | CHEMBL402069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPBLFONLHXBBQE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
1.55
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 8000.0 | nM | 5.1 | Antimicrobial activity against methicillin-resistant Staphylococcus aureus | 30179746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18211005 | 10.1021/np070594k | NON-PROTEIN TARGET | 2 |
| 22093759 | 10.1016/j.ejmech.2011.10.047 | HepG2 | 1 |
| 30179746 | 10.1016/j.ejmech.2018.08.061 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine