Compound Detail
CHEMBL4518980
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Basic Information
| ChEMBL ID | CHEMBL4518980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHVREVYWQBJNOU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.75
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.89 | 5.89 | 1290.0 | 2 |
| Matrix protein 2 CHEMBL1932894 | EC50 | 5.66 | 5.66 | 2210.0 | 1 |
| Matrix protein 2 CHEMBL2052 | EC50 | 5.66 | 5.66 | 2210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 1290.0 | nM | 5.89 | Antiviral activity against amantadine-sensitive Influenza A virus (A/chicken/Hub... | 31559005 |
| Influenza A virus | EC50 | = | 1290.0 | nM | 5.89 | Antiviral activity against amantadine-sensitive influenza A virus H5N1 (A/chicke... | 38330869 |
| Matrix protein 2 | EC50 | = | 2210.0 | nM | 5.66 | Inhibition of wild type Influenza A virus (A/chicken/Hubei/327/2004(H5N1)) M2 ex... | 31559005 |
| Matrix protein 2 | EC50 | = | 2210.0 | nM | 5.66 | Inhibition of wild type influenza A virus H5N1 (A/chicken/Hubei/327/2004) matrix... | 38330869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31559005 | 10.1039/C8MD00474A | Influenza A virus | 2 |
| 31559005 | 10.1039/C8MD00474A | Matrix protein 2 | 2 |
| 31559005 | 10.1039/C8MD00474A | MDCK | 1 |
| 31559005 | 10.1039/C8MD00474A | Unchecked | 1 |
| 31559005 | 10.1039/C8MD00474A | Saccharomyces cerevisiae | 1 |
| 38330869 | 10.1016/j.ejmech.2024.116172 | Influenza A virus | 1 |
| 38330869 | 10.1016/j.ejmech.2024.116172 | Matrix protein 2 | 1 |
Data from ChEMBL 36 via Core Engine