Compound Detail
CHEMBL5564498
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Basic Information
| ChEMBL ID | CHEMBL5564498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFSNAVOXIRNTLP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
1.24
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | IC50 | 4.42 | 4.42 | 38200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 38200.0 | nM | 4.42 | Inhibition of Escherichia coli FabH | 38159483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38159483 | 10.1016/j.ejmech.2023.116064 | Escherichia coli | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Pseudomonas aeruginosa | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Bacillus subtilis | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Staphylococcus aureus | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Klebsiella pneumoniae | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Streptococcus pneumoniae | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Erythrocyte | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine