Compound Detail
CHEMBL4073601
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Basic Information
| ChEMBL ID | CHEMBL4073601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCKPJXLKCCFLEX-BIMULSAOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
262.4
MW (Da)
3.06
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | IC50 | 4.14 | 4.14 | 72700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | IC50 | = | 72700.0 | nM | 4.14 | Antiviral activity against Influenza A virus H1N1 infected in dog MDCK cells ass... | 31439378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28196702 | 10.1016/j.bmcl.2016.06.011 | Unchecked | 3 |
| 28196702 | 10.1016/j.bmcl.2016.06.011 | MDCK | 1 |
| 28196702 | 10.1016/j.bmcl.2016.06.011 | Influenza A virus H3N2 | 1 |
| 28196702 | 10.1016/j.bmcl.2016.06.011 | Influenza A virus | 1 |
| 28196702 | 10.1016/j.bmcl.2016.06.011 | Influenza B virus | 1 |
| 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 | Unchecked | 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