Compound Detail
CHEMBL2164513
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Basic Information
| ChEMBL ID | CHEMBL2164513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HADRFJLXOJPPBT-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
1.25
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-3-O-acyl-N-acetylglucosamine deacetylase CHEMBL2163170 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.048 | - | 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 | = | 1.61 | nM | 8.79 | 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