Compound Detail
CHEMBL4580844
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CS(=O)(=O)NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1
Basic Information
| ChEMBL ID | CHEMBL4580844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDTPBDPLSZSCCR-QRTARXTBSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 7.3125 | 6.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of bacterial AmpC using nitrocefin as substrate preincubated for 15 m... | 31765155 |
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Inhibition of bacterial KPC-2 using imipenem as substrate preincubated for 15 mi... | 31765155 |
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of bacterial VIM-2 using nitrocefin as substrate preincubated for 15 ... | 31765155 |
| Unchecked | IC50 | = | 499.0 | nM | 6.3 | Inhibition of bacterial OXA-48 using nitrocefin as substrate preincubated for 15... | 31765155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31765155 | 10.1021/acs.jmedchem.9b01518 | Unchecked | 7 |
| 31765155 | 10.1021/acs.jmedchem.9b01518 | Beta-lactamase VIM-2 | 1 |
Data from ChEMBL 36 via Core Engine