Compound Detail
CHEMBL458164
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Basic Information
| ChEMBL ID | CHEMBL458164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGMBMYJAUTUEJB-NTEUORMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.85
ALogP
3
HBA
2
HBD
52.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL4914 | Kd | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | Kd | = | 20.0 | nM | 7.7 | Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL2... | 19185501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19185501 | 10.1016/j.bmc.2009.01.004 | Staphylococcus aureus | 2 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Unchecked | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Escherichia coli | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Klebsiella pneumoniae | 1 |
| 19185501 | 10.1016/j.bmc.2009.01.004 | Enterococcus faecalis | 1 |
| 22104972 | 10.1016/j.ejmech.2011.10.052 | Enterococcus faecium | 1 |
| 22104972 | 10.1016/j.ejmech.2011.10.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine