Compound Detail
CHEMBL191827
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Basic Information
| ChEMBL ID | CHEMBL191827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZBMWOJXZNLVRL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
428.2
MW (Da)
4.90
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3672 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL5070 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3673 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3822 | IC50 | 4.7 | 4.7 | 20000.0 | 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 | = | 34.0 | nM | 7.47 | Inhibitory concentration against Streptococcus pyogenes beta-Ketoacyl-acyl carri... | 15743201 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 62.0 | nM | 7.21 | Inhibitory concentration against Enterococcus faecalis beta-Ketoacyl-acyl carrie... | 15743201 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 12300.0 | nM | 4.91 | Inhibitory concentration against Staphylococcus aureus beta-Ketoacyl-acyl carrie... | 15743201 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory concentration against Haemophilus influenzae beta-Ketoacyl-acyl carri... | 15743201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743201 | 10.1021/jm049141s | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 4 |
| 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