Compound Detail
CHEMBL5274841
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Basic Information
| ChEMBL ID | CHEMBL5274841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYFBHJVSLCFRQD-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
0.07
ALogP
7
HBA
3
HBD
147.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 7.44 | 7.44 | 36.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.44 | 6.088 | 36.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 36.0 | nM | 7.44 | Inhibition of GST-tagged bacterial beta-lactamase NMD-1 expressed in Escherichia... | 36475645 |
| Metallo-beta-lactamase type 2 | IC50 | = | 36.5 | nM | 7.44 | Class B Enzyme Assay: The Class B enzyme activities were measured in the presenc... | - |
| Unchecked | IC50 | = | 767.0 | nM | 6.12 | Inhibition of GST-tagged bacterial beta-lactamase IMP-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 768.0 | nM | 6.12 | Class B Enzyme Assay: The Class B enzyme activities were measured in the presenc... | - |
| Unchecked | IC50 | = | 4127.0 | nM | 5.38 | Inhibition of GST-tagged bacterial beta-lactamase VIM-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 4127.0 | nM | 5.38 | 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 | 5 |
| 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