Compound Detail
CHEMBL4855048
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Basic Information
| ChEMBL ID | CHEMBL4855048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBNXKBWPPCQJID-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
287.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.07 | 5.56 | 86.0 | 5 |
| Beta-lactamase TEM CHEMBL2364670 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 86.0 | nM | 7.07 | Inhibition of bacterial Beta-lactamase KPC-2 (29 - 289) (unknown origin) express... | 33744439 |
| Beta-lactamase TEM | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) express... | 33744439 |
| Unchecked | IC50 | = | 2340.0 | nM | 5.63 | Inhibition of bacterial Beta-lactamase OXA-48 (1 - 265) (unknown origin) express... | 33744439 |
| Unchecked | IC50 | = | 3810.0 | nM | 5.42 | Inhibition of bacterial Beta-lactamase SFH-1 (3 - 234) expressed in Escherichia ... | 33744439 |
| Unchecked | IC50 | = | 9050.0 | nM | 5.04 | Inhibition of bacterial New Delhi metallo-beta-lactamase 1 (1- 270) (unknown ori... | 33744439 |
| Unchecked | IC50 | = | 22690.0 | nM | 4.64 | Inhibition of bacterial Beta-lactamase AmpC (20 - 377) (unknown origin) expresse... | 33744439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33744439 | 10.1016/j.bmcl.2021.127956 | Unchecked | 6 |
| 33744439 | 10.1016/j.bmcl.2021.127956 | Escherichia coli | 4 |
| 33744439 | 10.1016/j.bmcl.2021.127956 | Klebsiella pneumoniae | 2 |
| 33744439 | 10.1016/j.bmcl.2021.127956 | Beta-lactamase TEM | 1 |
| 33744439 | 10.1016/j.bmcl.2021.127956 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine