Compound Detail
CHEMBL4281038
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Basic Information
| ChEMBL ID | CHEMBL4281038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NANQYWNJQOPNJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
3.65
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Matrix protein 2 CHEMBL2052 | EC50 | 5.46 | 5.46 | 3470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 1540.0 | nM | 5.81 | Antiviral activity against Influenza A virus (A/chicken/Hubei/327/2004(H5N1)) in... | 30292897 |
| Matrix protein 2 | EC50 | = | 3470.0 | nM | 5.46 | Inhibition of wild type Influenza A virus (A/chicken/Hubei/327/2004(H5N1)) M2 ch... | 30292897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30292897 | 10.1016/j.ejmech.2018.09.065 | Matrix protein 2 | 2 |
| 30292897 | 10.1016/j.ejmech.2018.09.065 | Influenza A virus | 1 |
| 30292897 | 10.1016/j.ejmech.2018.09.065 | MDCK | 1 |
| 30292897 | 10.1016/j.ejmech.2018.09.065 | Unchecked | 1 |
| 30292897 | 10.1016/j.ejmech.2018.09.065 | Saccharomyces cerevisiae | 1 |
Data from ChEMBL 36 via Core Engine