Compound Detail
CHEMBL68042
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Basic Information
| ChEMBL ID | CHEMBL68042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPSVMWLWFSURME-DODKFZKMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
2.73
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2725 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 76000.0 | nM | 4.12 | Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cl... | 11012024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23726031 | 10.1016/j.bmcl.2013.04.092 | DLD-1 | 2 |
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase | 1 |
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase TEM | 1 |
| 23726031 | 10.1016/j.bmcl.2013.04.092 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine