Compound Detail
CHEMBL1412578
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Basic Information
| ChEMBL ID | CHEMBL1412578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEPWZZCIRVBASB-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
3.04
ALogP
8
HBA
1
HBD
112.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.92
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 7.92 | 7.4067 | 12.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 12.0 | nM | 7.92 | Antiviral activity against Influenza A virus WSN/1933 (H1N1) infected in human 2... | 23956816 |
| NON-PROTEIN TARGET | EC50 | = | 23.0 | nM | 7.64 | Antiviral activity against Measles virus Edmonston infected in african green mon... | 23956816 |
| Influenza A virus | EC50 | = | 50.0 | nM | 7.3 | Antiviral activity against Influenza A virus A/Aichi/1968(H3N2) by firefly lucif... | 23956816 |
| Influenza A virus | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against Influenza A virus A/sw/Texas/2009(H1N1) virus by fire... | 23956816 |
| Respiratory syncytial virus | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against Respiratory syncytial virus by firefly luciferase rep... | 23956816 |
| Unchecked | IC50 | = | 4570.0 | nM | 5.34 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23956816 | 10.1021/ml400166b | Influenza A virus | 3 |
| 23956816 | 10.1021/ml400166b | NON-PROTEIN TARGET | 1 |
| 23956816 | 10.1021/ml400166b | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine