Compound Detail
CHEMBL5079585
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Basic Information
| ChEMBL ID | CHEMBL5079585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYSHUOMEMCKYCI-OAHLLOKOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.6
Kd 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase basic protein 2 CHEMBL3317339 | Kd | 5.66 | 5.66 | 2200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.6 | 4.6 | 25150.0 | 1 |
| Influenza A virus (A/Puerto Rico/8/1934(H1N1)) CHEMBL612610 | EC50 | 4.48 | 4.48 | 33230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase basic protein 2 | Kd | = | 2200.0 | nM | 5.66 | Binding affinity to CM5 immobilized N-terminal His/Sumo tagged Influenza A virus... | 34839161 |
| Unchecked | EC50 | = | 25150.0 | nM | 4.6 | Antiviral activity against Influenza A virus (A/Hong Kong/1-8/1968(H3N2)) infect... | 34839161 |
| Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | EC50 | = | 33230.0 | nM | 4.48 | Antiviral activity against Influenza A virus (A/Puerto Rico 8/1934 (H1N1)) infec... | 34839161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34839161 | 10.1016/j.bmc.2021.116515 | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | 1 |
| 34839161 | 10.1016/j.bmc.2021.116515 | Unchecked | 1 |
| 34839161 | 10.1016/j.bmc.2021.116515 | MDCK | 1 |
| 34839161 | 10.1016/j.bmc.2021.116515 | Polymerase basic protein 2 | 1 |
Data from ChEMBL 36 via Core Engine