Compound Detail
CHEMBL5179133
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Basic Information
| ChEMBL ID | CHEMBL5179133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BELLAIWNCQRGEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.6
MW (Da)
4.45
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Salmonella typhimurium CHEMBL351 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Salmonella typhimurium | IC50 | = | 120.0 | nM | 6.92 | Antibacterial activity against salmonella typhimurium infected in gentamicin-tre... | 35133820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35133820 | 10.1021/acs.jmedchem.1c01870 | Salmonella typhimurium | 1 |
Data from ChEMBL 36 via Core Engine