Compound Detail
CHEMBL4213962
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Basic Information
| ChEMBL ID | CHEMBL4213962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJBSYBZBOYJEQW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.93
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.07
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PA/PB1 CHEMBL3137263 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PA/PB1 | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of Influenza A virus 6His-tagged PA (239 to 716 residues)/GST-tagged ... | 28666191 |
| Influenza A virus | EC50 | = | 86000.0 | nM | 4.07 | Antiviral activity against Influenza A virus A/PR/8/34 (H1N1) infected in MDCK c... | 28666191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28666191 | 10.1016/j.ejmech.2017.06.015 | PA/PB1 | 1 |
| 28666191 | 10.1016/j.ejmech.2017.06.015 | Influenza A virus | 1 |
| 28666191 | 10.1016/j.ejmech.2017.06.015 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine