Compound Detail
CHEMBL5268582
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Basic Information
| ChEMBL ID | CHEMBL5268582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFKNEOQKUNISTF-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
0.58
ALogP
6
HBA
2
HBD
127.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.62 | 6.452 | 24.0 | 5 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 7.61 | 7.61 | 24.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 24.0 | nM | 7.62 | Inhibition of GST-tagged bacterial beta-lactamase NMD-1 expressed in Escherichia... | 36475645 |
| Metallo-beta-lactamase type 2 | IC50 | = | 24.5 | nM | 7.61 | Class B Enzyme Assay: The Class B enzyme activities were measured in the presenc... | - |
| Unchecked | IC50 | = | 269.0 | nM | 6.57 | Inhibition of GST-tagged bacterial beta-lactamase VIM-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 269.0 | nM | 6.57 | Class B Enzyme Assay: The Class B enzyme activities were measured in the presenc... | - |
| Unchecked | IC50 | = | 1778.0 | nM | 5.75 | Inhibition of GST-tagged bacterial beta-lactamase IMP-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 1778.0 | nM | 5.75 | Class B Enzyme Assay: The Class B enzyme activities were measured in the presenc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36475645 | 10.1021/acs.jmedchem.2c00766 | Unchecked | 6 |
| 36475645 | 10.1021/acs.jmedchem.2c00766 | Escherichia coli | 1 |
| 36475645 | 10.1021/acs.jmedchem.2c00766 | Serratia marcescens | 1 |
| 36475645 | 10.1021/acs.jmedchem.2c00766 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine