Compound Detail
CHEMBL2164523
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Basic Information
| ChEMBL ID | CHEMBL2164523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFZPUFYXZVVJGS-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
0.79
ALogP
8
HBA
2
HBD
123.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase CHEMBL2163170 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.085 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of Pseudomonas aeruginosa LpxC | 23046961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23046961 | 10.1016/j.bmcl.2012.09.058 | Pseudomonas aeruginosa | 5 |
| 23046961 | 10.1016/j.bmcl.2012.09.058 | Plasma | 1 |
| 23046961 | 10.1016/j.bmcl.2012.09.058 | No relevant target | 1 |
| 23046961 | 10.1016/j.bmcl.2012.09.058 | Acinetobacter baumannii | 1 |
| 23046961 | 10.1016/j.bmcl.2012.09.058 | Klebsiella pneumoniae | 1 |
| 23046961 | 10.1016/j.bmcl.2012.09.058 | Escherichia coli | 1 |
| 23046961 | 10.1016/j.bmcl.2012.09.058 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | 1 |
Data from ChEMBL 36 via Core Engine