Compound Detail
CHEMBL553476
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O=C(COc1ccccc1)NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL553476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUSUCFQXLJLUPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
595.6
MW (Da)
4.93
ALogP
8
HBA
1
HBD
117.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase OXA-10 CHEMBL5482 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase OXA-10 | Ki | = | 20000.0 | nM | 4.7 | Competitive inhibition of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7 | 19467869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19467869 | 10.1016/j.bmcl.2009.04.149 | Beta-lactamase OXA-10 | 3 |
| 19467869 | 10.1016/j.bmcl.2009.04.149 | Unchecked | 2 |
| 19467869 | 10.1016/j.bmcl.2009.04.149 | Beta-lactamase | 2 |
| 19467869 | 10.1016/j.bmcl.2009.04.149 | Imipenem-hydrolyzing beta-lactamase | 1 |
| 19467869 | 10.1016/j.bmcl.2009.04.149 | Beta-lactamase VIM-4 | 1 |
Data from ChEMBL 36 via Core Engine