Compound Detail
CHEMBL5396318
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Basic Information
| ChEMBL ID | CHEMBL5396318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTSKORUQBHAOPL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
2.85
ALogP
3
HBA
1
HBD
20.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase VIM-1 CHEMBL5465387 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase VIM-1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of VIM1 (unknown origin) using dicefalotinodifluorofluorescein as sub... | 35988449 |
| Beta-lactamase VIM-1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of bacterial Metallo-beta-lactamase VIM-1 (unknown origin) using fluo... | 37360393 |
| Metallo-beta-lactamase type 2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of NDM1 (unknown origin) using dicefalotinodifluorofluorescein as sub... | 35988449 |
| Metallo-beta-lactamase type 2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of bacterial NDM-1 (unknown origin) using fluorocillin as substrate i... | 37360393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37360393 | 10.1039/d3md00036b | Beta-lactamase VIM-1 | 2 |
| 35988449 | 10.1016/j.ejmech.2022.114677 | Beta-lactamase VIM-1 | 1 |
| 35988449 | 10.1016/j.ejmech.2022.114677 | Metallo-beta-lactamase type 2 | 1 |
| 37360393 | 10.1039/d3md00036b | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine