Compound Detail
CHEMBL4114673
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Basic Information
| ChEMBL ID | CHEMBL4114673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PODACQWVDNEGKW-YYMYQNARSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
1.08
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase TEM CHEMBL2364670 | IC50 | 6.08 | 5.665 | 827.5 | 2 |
| Beta-lactamase SHV-1 CHEMBL5956 | IC50 | 5.98 | 5.98 | 1043.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 4.85 | 4.85 | 14271.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase TEM | IC50 | = | 827.5 | nM | 6.08 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase SHV-1 | IC50 | = | 1043.0 | nM | 5.98 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase TEM | IC50 | = | 5642.2 | nM | 5.25 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
| Beta-lactamase | IC50 | = | 14271.0 | nM | 4.85 | Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the be... | - |
Data from ChEMBL 36 via Core Engine