Compound Detail
CHEMBL326069
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Basic Information
| ChEMBL ID | CHEMBL326069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHVOJYUPDOQKIQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
219.4
MW (Da)
3.47
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.83
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.41 | 3920.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.83 | 4.83 | 14610.0 | 1 |
| Matrix protein 2 CHEMBL2052 | Kd | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3920.0 | nM | 5.41 | Antiviral activity against Influenza A virus (A/WSN/1933(H1N1)) expressing M2 pr... | 28107633 |
| Unchecked | Kd | = | 14610.0 | nM | 4.83 | Binding affinity to synthetic wild-type C-terminally amidated Influenza A virus ... | 28107633 |
| Matrix protein 2 | Kd | = | 15800.0 | nM | 4.8 | Binding affinity to synthetic Influenza A virus (A/Udorn/307/72) M2 transmembran... | 28107633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Unchecked | 8 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Matrix protein 2 | 6 |
| 8765514 | 10.1021/jm950891z | NON-PROTEIN TARGET | 2 |
| 8765514 | 10.1021/jm950891z | Human alphaherpesvirus 3 | 2 |
| 8765514 | 10.1021/jm950891z | Coxsackievirus B4 | 2 |
| 8765514 | 10.1021/jm950891z | Vesicular stomatitis virus | 2 |
| 8765514 | 10.1021/jm950891z | Human alphaherpesvirus 1 | 2 |
| 8765514 | 10.1021/jm950891z | MDCK | 2 |
| 8765514 | 10.1021/jm950891z | Vaccinia virus | 1 |
| 8765514 | 10.1021/jm950891z | Human alphaherpesvirus 2 | 1 |
| 8765514 | 10.1021/jm950891z | Enterovirus C | 1 |
| 8765514 | 10.1021/jm950891z | Sindbis virus | 1 |
| 8765514 | 10.1021/jm950891z | Semliki Forest virus | 1 |
| 8765514 | 10.1021/jm950891z | Mammalian orthoreovirus 1 | 1 |
| 8765514 | 10.1021/jm950891z | Human respirovirus 3 | 1 |
| 8765514 | 10.1021/jm950891z | Human betaherpesvirus 5 | 1 |
| 8765514 | 10.1021/jm950891z | Human immunodeficiency virus 1 | 1 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | MDCK | 1 |
| 8765514 | 10.1021/jm950891z | Vero | 1 |
| 8765514 | 10.1021/jm950891z | HEF | 1 |
Data from ChEMBL 36 via Core Engine