Compound Detail
CHEMBL4217706
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Basic Information
| ChEMBL ID | CHEMBL4217706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOKWRONEBQFTDW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.7
MW (Da)
3.33
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase VIM-1 CHEMBL5465387 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.645 | 10600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of recombinant bacterial VIM2 expressed in Escherichia coli using FC-... | 29477271 |
| Beta-lactamase VIM-1 | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of VIM1 (unknown origin) | 35988449 |
| Unchecked | IC50 | = | 47600.0 | nM | 4.32 | Inhibition of VIM5 (unknown origin) | 35988449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35988449 | 10.1016/j.ejmech.2022.114677 | Unchecked | 2 |
| 29477271 | 10.1016/j.bmcl.2018.02.025 | Unchecked | 1 |
| 35988449 | 10.1016/j.ejmech.2022.114677 | Beta-lactamase VIM-1 | 1 |
Data from ChEMBL 36 via Core Engine