Compound Detail
CHEMBL1384476
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Basic Information
| ChEMBL ID | CHEMBL1384476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAJLFSGGSFDSFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.95
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 6.14 | 6.14 | 717.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 717.0 | nM | 6.14 | PUBCHEM_BIOASSAY: Inhibitors of Bacterial Quorum Sensing Structure Activity Rela... | - |
| Unchecked | IC50 | = | 720.0 | nM | 6.14 | Inhibition of Staphylococcus aureus AgrC3 | 23294220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23294220 | 10.1021/jm3014635 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine