Compound Detail
CHEMBL3929560
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Basic Information
| ChEMBL ID | CHEMBL3929560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCNWJLVKOBGABZ-DKTWLAJQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
212.4
MW (Da)
2.78
ALogP
3
HBA
1
HBD
38.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Matrix protein 2 CHEMBL2052 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against Influenza A virus A/Puerto Rico/8/34 expressing wild ... | 27187859 |
| Unchecked | EC50 | = | 30.0 | nM | 7.52 | Inhibition of Influenza A virus A/udorn/72(H3N2) wild type M2 proton channel exp... | 27187859 |
| Matrix protein 2 | EC50 | = | 100000.0 | nM | 4.0 | Inhibition of Influenza A virus A/udorn/72(H3N2) M2 proton channel V27A mutant e... | 27187859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27187859 | 10.1016/j.ejmech.2016.05.008 | NON-PROTEIN TARGET | 7 |
| 27187859 | 10.1016/j.ejmech.2016.05.008 | Matrix protein 2 | 2 |
| 27187859 | 10.1016/j.ejmech.2016.05.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine