Compound Detail
CHEMBL1089781
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Basic Information
| ChEMBL ID | CHEMBL1089781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRZPQNCNBISJFG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
340.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase SHV-5 CHEMBL1075174 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| Beta-lactamase CHEMBL2725 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Beta-lactamase CHEMBL5031 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Beta-lactamase CHEMBL1075159 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase SHV-5 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of Klebsiella pneumoniae beta-lactamase SHV5 | 20299220 |
| Beta-lactamase | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Enterobacter colacae P99 Beta-lactamase | 20299220 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Pseudomonas aeruginosa beta-lactamase TEM-1 | 20299220 |
| Beta-lactamase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC | 20299220 |
| Beta-lactamase | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of Acinetobacter baumannii beta-lactamase OXA40 | 20299220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20299220 | 10.1016/j.bmcl.2010.02.065 | Beta-lactamase | 3 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 20299220 | 10.1016/j.bmcl.2010.02.065 | Unchecked | 1 |
| 20299220 | 10.1016/j.bmcl.2010.02.065 | Beta-lactamase SHV-5 | 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 |
Data from ChEMBL 36 via Core Engine