Compound Detail
CHEMBL1303854
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Basic Information
| ChEMBL ID | CHEMBL1303854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZVFXYXQNAYXFT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
1.17
ALogP
3
HBA
2
HBD
78.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.04
EC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.89 | 4.89 | 12963.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.46 | 4.46 | 34500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of recombinant Norovirus GII.4 C-terminal His6-tagged RNA-dependent R... | 32294613 |
| Serine/threonine-protein phosphatase | IC50 | = | 12963.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 34500.0 | nM | 4.46 | Antiviral activity against murine Norovirus GV.1 infected in mouse RAW264.7 cell... | 32294613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32294613 | 10.1016/j.ejmech.2020.112198 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine