Compound Detail
CHEMBL4115678
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Basic Information
| ChEMBL ID | CHEMBL4115678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUIFBYULLQUXTF-MALCNQJZSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.51
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase SHV-1 CHEMBL5956 | IC50 | 5.77 | 5.47 | 1713.1 | 2 |
| Beta-lactamase TEM CHEMBL2364670 | IC50 | 5.71 | 5.405 | 1948.6 | 2 |
| Beta-lactamase CHEMBL2026 | IC50 | 5.57 | 5.03 | 2724.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase SHV-1 | IC50 | = | 1713.1 | nM | 5.77 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase TEM | IC50 | = | 1948.6 | nM | 5.71 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase | IC50 | = | 2724.9 | nM | 5.57 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase SHV-1 | IC50 | = | 6810.3 | nM | 5.17 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase TEM | IC50 | = | 8016.0 | nM | 5.1 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase | IC50 | = | 32183.0 | nM | 4.49 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
Data from ChEMBL 36 via Core Engine