Compound Detail
CHEMBL5555396
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5555396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGQFJEQKSDZEGB-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.37
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Kd 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | Kd | 4.67 | 4.67 | 21500.0 | 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 | = | 2000.0 | nM | 5.7 | Inhibition of Escherichia coli FabH | 38159483 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | Kd | = | 21500.0 | nM | 4.67 | Binding affinity to Escherichia coli FabH assessed as dissociation constant by I... | 38159483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38159483 | 10.1016/j.ejmech.2023.116064 | Staphylococcus aureus | 7 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 5 |
| 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 | Klebsiella pneumoniae | 1 |
| 38159483 | 10.1016/j.ejmech.2023.116064 | Streptococcus pneumoniae | 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