Compound Detail
CHEMBL3944613
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Basic Information
| ChEMBL ID | CHEMBL3944613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTPKNUJKFUZRDR-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.57
ALogP
6
HBA
2
HBD
97.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.7 | 6.7 | 201.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 6.7 | 6.7 | 201.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Influenza A virus CEN | 31386363 |
| Unchecked | IC50 | = | 5.12 | nM | 8.29 | Inhibition of Influenza A virus A/WSN/33(H1N1) cap-dependent endonuclease using ... | 27568084 |
| NON-PROTEIN TARGET | EC50 | = | 201.0 | nM | 6.7 | Antiviral activity against Influenza A virus A/WSN/33(H1N1) infected in MDCK cel... | 27568084 |
| Influenza A virus | EC50 | = | 201.0 | nM | 6.7 | Antiviral activity against Influenza A virus | 31386363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27568084 | 10.1016/j.bmcl.2016.08.038 | Unchecked | 1 |
| 27568084 | 10.1016/j.bmcl.2016.08.038 | NON-PROTEIN TARGET | 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