Compound Detail
CHEMBL5291449
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Basic Information
| ChEMBL ID | CHEMBL5291449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKVMNLPRFLXXLN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
2.09
ALogP
5
HBA
2
HBD
108.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.63 | 5.33 | 2360.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2360.0 | nM | 5.63 | Inhibition of GST-tagged bacterial beta-lactamase IMP-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 4965.0 | nM | 5.3 | Inhibition of GST-tagged bacterial beta-lactamase NMD-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 8645.0 | nM | 5.06 | Inhibition of GST-tagged bacterial beta-lactamase VIM-1 expressed in Escherichia... | 36475645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36475645 | 10.1021/acs.jmedchem.2c00766 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine