Compound Detail
CHEMBL179033
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Basic Information
| ChEMBL ID | CHEMBL179033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGJBKTLOTKCFTO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.49
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL5070 | IC50 | 5.0 | 5.0 | 10100.0 | 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 | = | 10100.0 | nM | 5.0 | Inhibitory concentration against Enterococcus faecalis beta-Ketoacyl-acyl carrie... | 15743201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743201 | 10.1021/jm049141s | Beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
Data from ChEMBL 36 via Core Engine