Compound Detail
CHEMBL2443239
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Basic Information
| ChEMBL ID | CHEMBL2443239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WACGMDCXKWKGHR-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
2.73
ALogP
5
HBA
3
HBD
107.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
EC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.8 | 11.0 | 2 |
| Influenza A virus CHEMBL613740 | EC50 | 4.96 | 4.9467 | 11000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Influenza A/Puerto Rico/8/34 (H1N1) PA N-terminal domain endonucle... | 26252962 |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Influenza A virus H5N1 PA-Nter expressed in Escherichia coli BL21 ... | 30082105 |
| Polymerase acidic protein | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Influenza A virus CEN | 31386363 |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Inhibition of endonuclease activity of Influenza A virus H1N1 RNA-dependent RNA ... | 24055080 |
| Influenza A virus | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... | 26252962 |
| Influenza A virus | EC50 | = | 11400.0 | nM | 4.94 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... | 30082105 |
| Influenza A virus | EC50 | = | 11400.0 | nM | 4.94 | Antiviral activity against Influenza A virus | 31386363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24055080 | 10.1016/j.bmc.2013.08.053 | HEK293 | 1 |
| 24055080 | 10.1016/j.bmc.2013.08.053 | MDCK | 1 |
| 24055080 | 10.1016/j.bmc.2013.08.053 | Unchecked | 1 |
| 26252962 | 10.1016/j.bmc.2015.07.046 | Polymerase acidic protein | 1 |
| 26252962 | 10.1016/j.bmc.2015.07.046 | Influenza A virus | 1 |
| 30082105 | 10.1016/j.bmc.2018.07.046 | Unchecked | 1 |
| 30082105 | 10.1016/j.bmc.2018.07.046 | Influenza A virus | 1 |
| 31386363 | 10.1021/acs.jmedchem.9b00861 | Polymerase acidic protein | 1 |
| 31386363 | 10.1021/acs.jmedchem.9b00861 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine