Compound Detail
CHEMBL3746670
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Basic Information
| ChEMBL ID | CHEMBL3746670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBSRXDSYKFAERE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.79
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.32
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.52 | 4.52 | 30100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4800.0 | nM | 5.32 | Antiviral activity against murine Norovirus GV.1 infected in mouse RAW264.7 cell... | 32294613 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant Norovirus GII.4 C-terminal His6-tagged RNA-dependent R... | 32294613 |
| NON-PROTEIN TARGET | EC50 | = | 30100.0 | nM | 4.52 | Antiviral activity against Norovirus infected in HuH7 cells assessed as decrease... | 26258852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32294613 | 10.1016/j.ejmech.2020.112198 | Unchecked | 2 |
| 26258852 | 10.1021/acs.jmedchem.5b00762 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine