Compound Detail
CHEMBL5431950
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Basic Information
| ChEMBL ID | CHEMBL5431950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYUPDSQZAHKGGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
3.95
ALogP
5
HBA
2
HBD
52.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Salmonella typhimurium CHEMBL351 | EC50 | 5.37 | 5.37 | 4240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Salmonella typhimurium | EC50 | = | 4240.0 | nM | 5.37 | Antibacterial activity against Salmonella typhimurium ATCC14028 infected in mous... | 38283231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38283231 | 10.1039/d3md00418j | Salmonella typhimurium | 1 |
| 38283231 | 10.1039/d3md00418j | RAW264.7 | 1 |
| 38283231 | 10.1039/d3md00418j | ADMET | 1 |
Data from ChEMBL 36 via Core Engine