Compound Detail
CHEMBL3288286
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Basic Information
| ChEMBL ID | CHEMBL3288286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNZDVLSOYRHMCB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
3.30
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 6.7 | 5.29 | 200.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against Influenza A virus A2/Taiwan/1/64(H2N2) infected in MD... | 24793875 |
| Influenza A virus | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against Influenza A virus A/Victoria/3/75(H3N2) infected in M... | 24793875 |
| NON-PROTEIN TARGET | EC50 | = | 21000.0 | nM | 4.68 | Antiviral activity against Influenza A virus (A/California/07/2009(H1N1)) infect... | 24793875 |
| Influenza A virus | EC50 | = | 86000.0 | nM | 4.07 | Antiviral activity against Influenza A virus A/WS/33(H1N1) infected in MDCK cell... | 24793875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24793875 | 10.1021/jm500598u | Influenza A virus | 4 |
| 24793875 | 10.1021/jm500598u | NON-PROTEIN TARGET | 1 |
| 24793875 | 10.1021/jm500598u | MDCK | 1 |
Data from ChEMBL 36 via Core Engine