Compound Detail
CHEMBL4445526
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C=C(C(=O)Nc1ncc(B(O)O)cn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1
Basic Information
| ChEMBL ID | CHEMBL4445526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIARXUINBRHKLG-ZBINZKHDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
369.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus H3N2 CHEMBL2366902 | IC50 | 4.06 | 4.06 | 87400.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus H3N2 | IC50 | = | 87400.0 | nM | 4.06 | Antiviral activity against Influenza A virus H3N2 infected in dog MDCK cells ass... | 31439378 |
| Influenza A virus | IC50 | = | 96000.0 | nM | 4.02 | Antiviral activity against Influenza A virus H1N1 infected in dog MDCK cells ass... | 31439378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Unchecked | 3 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Influenza B virus | 1 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Influenza A virus H3N2 | 1 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Influenza A virus | 1 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine