Compound Detail
CHEMBL345872
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Basic Information
| ChEMBL ID | CHEMBL345872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXSRZKWPCBFVBG-GXCBOPRBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
1.52
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza B virus CHEMBL613129 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza B virus | IC50 | = | 83000.0 | nM | 4.08 | Inhibitory activity against sialidase of influenza B | 10098673 |
| Influenza A virus | IC50 | = | 99000.0 | nM | 4.0 | Inhibitory activity against sialidase of influenza A | 10098673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10098673 | 10.1016/s0960-894x(99)00032-3 | Influenza A virus | 1 |
| 10098673 | 10.1016/s0960-894x(99)00032-3 | Influenza B virus | 1 |
Data from ChEMBL 36 via Core Engine