Compound Detail
CHEMBL68217
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Basic Information
| ChEMBL ID | CHEMBL68217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRHQEUZTGAMGES-BNHHILBFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
2.64
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2725 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Beta-lactamase TEM CHEMBL3652 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 4200.0 | nM | 5.38 | Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cl... | 11012024 |
| Beta-lactamase TEM | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacte... | 11012024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase | 1 |
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase TEM | 1 |
Data from ChEMBL 36 via Core Engine