Compound Detail
CHEMBL66064
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Basic Information
| ChEMBL ID | CHEMBL66064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRWNAQDBODEVAL-YVMONPNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.08
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Beta-lactamase CHEMBL2725 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 22000.0 | nM | 4.66 | Inhibitory activity against HCV delta 21 NS5b RNA polymerase | 16451069 |
| Beta-lactamase | IC50 | = | 43000.0 | nM | 4.37 | Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cl... | 11012024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22077389 | 10.1021/jm201243p | Unchecked | 3 |
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase | 1 |
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase TEM | 1 |
| 16451069 | 10.1021/jm050859x | RNA-directed RNA polymerase | 1 |
| 22077389 | 10.1021/jm201243p | Prothrombin | 1 |
| 33588179 | 10.1016/j.ejmech.2021.113266 | Mycobacterium tuberculosis | 1 |
| 33588179 | 10.1016/j.ejmech.2021.113266 | Mycobacterium tuberculosis variant bovis BCG | 1 |
Data from ChEMBL 36 via Core Engine