Compound Detail
CHEMBL5561965
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Basic Information
| ChEMBL ID | CHEMBL5561965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQCWNEZSSPWDDM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069738 |
| Active Moiety | CHEMBL6069738 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
255.4
MW (Da)
2.95
ALogP
3
HBA
1
HBD
26.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.16
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 7.16 | 6.58 | 70.0 | 2 |
| Matrix protein 2 CHEMBL2052 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 70.0 | nM | 7.16 | Antiviral activity against influenza A virus A/Udorn/72 (H3N2) harboring wild ty... | 38330869 |
| Matrix protein 2 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of influenza A virus A/Udorn/72 matrix protein 2 V27A mutant expresse... | 38330869 |
| Influenza A virus | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against influenza A virus A/Udorn/72 (H3N2) harboring M2 V27A... | 38330869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38330869 | 10.1016/j.ejmech.2024.116172 | Influenza A virus | 2 |
| 38330869 | 10.1016/j.ejmech.2024.116172 | Matrix protein 2 | 1 |
Data from ChEMBL 36 via Core Engine