Compound Detail
CHEMBL4796446
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Basic Information
| ChEMBL ID | CHEMBL4796446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCXZDLJIMDEVAZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
3.01
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase VIM-2 CHEMBL5798 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase VIM-2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence... | 32631568 |
| Unchecked | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of beta lactamase NDM1 in Klebsiella pneumoniae in presence of imipen... | 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