Compound Detail
CHEMBL494725
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Basic Information
| ChEMBL ID | CHEMBL494725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGBJOMCSHBZQIW-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.8
MW (Da)
4.98
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.37
EC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase CHEMBL3988586 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.37 | 4.23 | 43000.0 | 2 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.12 | 4.12 | 75000.0 | 1 |
| Uracil-DNA glycosylase CHEMBL3988595 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| DNA polymerase | IC50 | = | 43000.0 | nM | 4.37 | Inhibition Assay: A rapid plate DNA synthesis assay was performed using optimize... | - |
| Vaccinia virus | EC50 | = | 75000.0 | nM | 4.12 | Antiviral activity against Vaccinia virus WR in BSC1 cells assessed as reduction... | 18808105 |
| Vaccinia virus | IC50 | = | 82000.0 | nM | 4.09 | Antiviral activity against Vaccinia virus WR infected in African green monkey BS... | 23527789 |
| Uracil-DNA glycosylase | IC50 | = | 82000.0 | nM | 4.09 | Viral Plaque Reduction Assay: African green monkey kidney BSC-1 cells were grown... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 4 |
| 18808105 | 10.1021/jm800366g | ADMET | 3 |
| 18808105 | 10.1021/jm800366g | Unchecked | 1 |
| 23527789 | 10.1021/jm301735k | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine