Compound Detail
CHEMBL370931
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Basic Information
| ChEMBL ID | CHEMBL370931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKXSDSWMIHFYQS-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
5.80
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3672 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL5070 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3822 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3673 | IC50 | 5.42 | 5.42 | 3800.0 | 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 | = | 4.0 | nM | 8.4 | Inhibitory concentration against Enterococcus faecalis beta-Ketoacyl-acyl carrie... | 15743201 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration against Streptococcus pyogenes beta-Ketoacyl-acyl carri... | 15743201 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Enterococcus faecalis FabH | 30925337 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Streptococcus pyogenes FabH | 30925337 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 2400.0 | nM | 5.62 | Inhibitory concentration against Haemophilus influenzae beta-Ketoacyl-acyl carri... | 15743201 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 3800.0 | nM | 5.42 | Inhibitory concentration against Staphylococcus aureus beta-Ketoacyl-acyl carrie... | 15743201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743201 | 10.1021/jm049141s | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 4 |
| 30925337 | 10.1016/j.ejmech.2019.03.026 | Unchecked | 2 |
| 15743201 | 10.1021/jm049141s | Escherichia coli | 1 |
| 15743201 | 10.1021/jm049141s | Staphylococcus aureus | 1 |
| 15743201 | 10.1021/jm049141s | Streptococcus pneumoniae | 1 |
| 15743201 | 10.1021/jm049141s | Streptococcus pyogenes | 1 |
| 15743201 | 10.1021/jm049141s | NON-PROTEIN TARGET | 1 |
| 15743201 | 10.1021/jm049141s | Neisseria meningitidis | 1 |
Data from ChEMBL 36 via Core Engine