Compound Detail
CHEMBL3110349
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Basic Information
| ChEMBL ID | CHEMBL3110349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CETFOONFBCFZRA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
6.07
ALogP
6
HBA
2
HBD
80.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.22
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.22 | 4.715 | 6000.0 | 2 |
| PA/PB1 CHEMBL3137263 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 6000.0 | nM | 5.22 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... | 24313730 |
| Influenza A virus | EC50 | = | 61000.0 | nM | 4.21 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... | 24313730 |
| PA/PB1 | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) His6-tagged PA (239 t... | 24313730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24313730 | 10.1021/jm401560v | Influenza A virus | 2 |
| 24313730 | 10.1021/jm401560v | MDCK | 1 |
| 24313730 | 10.1021/jm401560v | HEK293 | 1 |
| 24313730 | 10.1021/jm401560v | Unchecked | 1 |
| 24313730 | 10.1021/jm401560v | PA/PB1 | 1 |
Data from ChEMBL 36 via Core Engine