Compound Detail
CHEMBL4077011
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Basic Information
| ChEMBL ID | CHEMBL4077011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNZBCRVTPPFZQV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
4.37
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase VIM-2 CHEMBL5798 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| GIM-1 protein CHEMBL4105738 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase VIM-2 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Pseudomonas aeruginosa 301-5473 6His-tagged VIM-2 (V27 to E268 res... | 28445786 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Klebsiella pneumoniae 6His-tagged NDM1 (G36 to R280 residues) expr... | 28445786 |
| GIM-1 protein | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of Pseudomonas aeruginosa 6His-tagged GIM-1 (Q19 to D250 residues) ex... | 28445786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28445786 | 10.1016/j.ejmech.2017.04.035 | Unchecked | 2 |
| 28445786 | 10.1016/j.ejmech.2017.04.035 | GIM-1 protein | 2 |
| 28445786 | 10.1016/j.ejmech.2017.04.035 | Beta-lactamase VIM-2 | 2 |
Data from ChEMBL 36 via Core Engine