Compound Detail
CHEMBL428611
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Basic Information
| ChEMBL ID | CHEMBL428611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRVAOQLAEMOSRB-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.83
ALogP
4
HBA
2
HBD
112.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 14000.0 | nM | 4.85 | Inhibition of beta-lactamase AmpC | 18333608 |
| Beta-lactamase | Ki | = | 14000.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-L... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18333608 | 10.1021/jm701500e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine