Compound Detail
CHEMBL179596
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Basic Information
| ChEMBL ID | CHEMBL179596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBMHIMZUNFBWLA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
7.12
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL5070 | IC50 | 7.02 | 7.02 | 95.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 96.0 | nM | 7.02 | Inhibitory concentration against Enterococcus faecalis beta-Ketoacyl-acyl carrie... | 15743201 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 95.94 | nM | 7.02 | Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay | 17707951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743201 | 10.1021/jm049141s | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 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 |
| 15743201 | 10.1021/jm049141s | Escherichia coli | 1 |
| 17707951 | 10.1016/j.ejmech.2007.06.018 | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| 17707951 | 10.1016/j.ejmech.2007.06.018 | Staphylococcus aureus | 1 |
| 17707951 | 10.1016/j.ejmech.2007.06.018 | Streptococcus pneumoniae | 1 |
| 17707951 | 10.1016/j.ejmech.2007.06.018 | Neisseria meningitidis | 1 |
| 17707951 | 10.1016/j.ejmech.2007.06.018 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine