Compound Detail
CHEMBL3613796
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Basic Information
| ChEMBL ID | CHEMBL3613796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJEUORQIESDSSV-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
351.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | Ki | 10.3 | 10.3 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 10.3 | 10.11 | 0.1 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.05 | nM | 10.3 | Inhibition of beta-lactamase (unknown origin) | 26288158 |
| Unchecked | Ki | = | 0.05 | nM | 10.3 | Inhibition of bacterial AmpC | 28594170 |
| Beta-lactamase | Ki | = | 0.05 | nM | 10.3 | Inhibition of Escherichia coli AmpC using CENTA as substrate by spectrometry bas... | 29784271 |
| Unchecked | Ki | = | 0.05 | nM | 10.3 | Inhibition of class C metallo-beta-lactamase AmpC (unknown origin) | 35792385 |
| Unchecked | Ki | = | 0.05 | nM | 10.3 | Binding affinity to AmpC (unknown origin) assessed as inhibition constant | 35988449 |
| Unchecked | Ki | = | 0.45 | nM | 9.35 | Binding affinity to Acinetobacter derived cephalosporinase 7 assessed as inhibit... | 35988449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 35988449 | 10.1016/j.ejmech.2022.114677 | Unchecked | 2 |
| 26288158 | 10.1021/acs.jmedchem.5b00975 | Unchecked | 1 |
| 28594170 | 10.1021/acs.jmedchem.7b00215 | Unchecked | 1 |
| 29784271 | 10.1016/j.bmc.2018.04.055 | Beta-lactamase | 1 |
| - | 10.6019/CHEMBL4513161 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513161 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513161 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513161 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513161 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513161 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513161 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513161 | HEK293 | 1 |
| 35792385 | 10.1016/j.ejmech.2022.114571 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine