Compound Detail
CHEMBL5072629
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COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C(C)(C)C)cc3)C(C)c3ccc(OC)c(Cl)c3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL5072629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSPUTSSJLPKJSH-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
519.1
MW (Da)
7.26
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 7.21 | 7.045 | 61.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 61.0 | nM | 7.21 | Antiviral activity against Influenza A virus A/WSN/33(H1N1) strain infected in M... | 34905383 |
| Influenza A virus | EC50 | = | 72.0 | nM | 7.14 | Antiviral activity against Influenza A virus A/Puerto Rico/8/34(H1N1) strain inf... | 34905383 |
| Influenza A virus | EC50 | = | 77.0 | nM | 7.11 | Antiviral activity against Influenza A virus A/Virginia/ATCC2/2009(H1N1) strain ... | 34905383 |
| Influenza A virus | EC50 | = | 79.0 | nM | 7.1 | Antiviral activity against Influenza A virus B/Lee/40(type B) strain infected in... | 34905383 |
| Influenza A virus | EC50 | = | 85.0 | nM | 7.07 | Antiviral activity against Influenza A virus A/Aichi/8/68(H3N2) strain infected ... | 34905383 |
| Influenza A virus | EC50 | = | 230.0 | nM | 6.64 | Antiviral activity against Influenza A virus A/California/7/2009(H1N1) strain in... | 34905383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34905383 | 10.1021/acs.jmedchem.1c01527 | Influenza A virus | 6 |
| 34905383 | 10.1021/acs.jmedchem.1c01527 | Unchecked | 2 |
| 34905383 | 10.1021/acs.jmedchem.1c01527 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine