Compound Detail
CHEMBL4453880
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4453880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNKQNKJUZBXUSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
3.99
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 6.95 | 6.95 | 113.0 | 1 |
| H5N1 subtype CHEMBL613845 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 113.0 | nM | 6.95 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... | 32069052 |
| H5N1 subtype | EC50 | = | 510.0 | nM | 6.29 | Antiviral activity against pseudotyped Influenza A virus H5N1 (Goose/Qinghai/59/... | 32069052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32069052 | 10.1021/acs.jmedchem.9b01900 | H5N1 subtype | 4 |
| 32069052 | 10.1021/acs.jmedchem.9b01900 | Influenza A virus | 2 |
Data from ChEMBL 36 via Core Engine