Compound Detail
CHEMBL5557564
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CN1C(=O)c2c(O)c(=O)ccn2N2[C@H](c3ccccc3Br)c3cc(F)c(F)cc3OCC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5557564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPKNOVSWLZIWFM-VQTJNVASSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.3
MW (Da)
3.52
ALogP
6
HBA
1
HBD
75.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 7.96 | 7.37 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 11.0 | nM | 7.96 | Antiviral activity against Influenza A virus A/PR/8/34 (H1N1) infected in MDCK c... | 38301207 |
| Influenza A virus | EC50 | = | 166.0 | nM | 6.78 | Antiviral activity against Influenza A virus A/PR/8/34 PA-I38T infected in MDCK ... | 38301207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38301207 | 10.1021/acs.jmedchem.3c01715 | Influenza A virus | 5 |
Data from ChEMBL 36 via Core Engine