Compound Detail
CHEMBL1956145
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Basic Information
| ChEMBL ID | CHEMBL1956145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUJZDOQEEVSPKK-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.32
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase CHEMBL3855 | IC50 | 10.07 | 9.495 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | IC50 | = | 0.0842 | nM | 10.07 | Enzyme Assay: IC50 determination in the LpxC enzyme assay was carried out in a s... | - |
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-ac... | 22175825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22175825 | 10.1021/jm2014748 | Pseudomonas aeruginosa | 2 |
| 22175825 | 10.1021/jm2014748 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | 1 |
| 22175825 | 10.1021/jm2014748 | Staphylococcus aureus | 1 |
| 22175825 | 10.1021/jm2014748 | Klebsiella pneumoniae | 1 |
| 22175825 | 10.1021/jm2014748 | Escherichia coli | 1 |
| 22175825 | 10.1021/jm2014748 | Klebsiella aerogenes | 1 |
| 22175825 | 10.1021/jm2014748 | Citrobacter freundii | 1 |
| 22175825 | 10.1021/jm2014748 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine