Compound Detail
CHEMBL4759266
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Basic Information
| ChEMBL ID | CHEMBL4759266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPMUCLUOQUMGEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
-0.26
ALogP
5
HBA
3
HBD
113.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase VIM-2 CHEMBL5798 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase VIM-2 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence... | 32631568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631568 | 10.1016/j.bmc.2020.115598 | Beta-lactamase VIM-2 | 2 |
| 32631568 | 10.1016/j.bmc.2020.115598 | GIM-1 protein | 2 |
| 32631568 | 10.1016/j.bmc.2020.115598 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine