Compound Detail
CHEMBL4776119
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Basic Information
| ChEMBL ID | CHEMBL4776119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNCYOZQXFNQDRI-ZVHZXABRSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.16
ALogP
5
HBA
2
HBD
83.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.52 | 5.596 | 300.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 300.0 | nM | 6.52 | Inhibition of beta-lactamase VIM4 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 900.0 | nM | 6.05 | Inhibition of beta-lactamase L1 (unknown origin) expressed in Escherichia coli B... | 32937203 |
| Unchecked | Ki | = | 1100.0 | nM | 5.96 | Inhibition of beta-lactamase VIM2 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 9000.0 | nM | 5.05 | Inhibition of beta-lactamase IMP-1 (unknown origin) expressed in Escherichia col... | 32937203 |
| Unchecked | Ki | = | 40000.0 | nM | 4.4 | Inhibition of beta-lactamase CphA (unknown origin) expressed in Escherichia coli... | 32937203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32937203 | 10.1016/j.ejmech.2020.112720 | Unchecked | 10 |
Data from ChEMBL 36 via Core Engine