Compound Detail
CHEMBL180223
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Basic Information
| ChEMBL ID | CHEMBL180223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGRVOQTWOUGIQD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.62
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL5070 | IC50 | 4.42 | 4.42 | 38000.0 | 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 | = | 38000.0 | nM | 4.42 | Inhibitory concentration against Enterococcus faecalis beta-Ketoacyl-acyl carrie... | 15743201 |
| Beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 38018.94 | nM | 4.42 | 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 |
| 17707951 | 10.1016/j.ejmech.2007.06.018 | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
Data from ChEMBL 36 via Core Engine