Compound Detail
CHEMBL333494
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Basic Information
| ChEMBL ID | CHEMBL333494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQSQCTCUOCDPIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
217.2
MW (Da)
1.44
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase TEM CHEMBL2065 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase TEM | Ki | = | 20000.0 | nM | 4.7 | Inhibition constant (Ki) for TEM-1 beta-lactamase | 3257523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3257523 | 10.1021/jm00397a018 | Beta-lactamase TEM | 1 |
Data from ChEMBL 36 via Core Engine