Compound Detail
CHEMBL81777
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Basic Information
| ChEMBL ID | CHEMBL81777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQIVDWCSVLHHIC-XJFOESAGSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
0.97
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Neuraminidase CHEMBL6135 | IC50 | 8.52 | 7.02 | 3.0 | 2 |
| Neuraminidase CHEMBL3377 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against influenza A neuraminidase from influenza A/PR/8/34 (... | 9651151 |
| Neuraminidase | IC50 | = | 3.006 | nM | 8.52 | Inhibition of Influenza virus neuraminidase A | - |
| Neuraminidase | IC50 | = | 24.0 | nM | 7.62 | Inhibitory activity against influenza B neuraminidase from influenza virus neura... | 9651151 |
| Neuraminidase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Influenza virus neuraminidase A | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651151 | 10.1021/jm980162u | Neuraminidase | 2 |
| - | 10.1039/C1MD00050K | Neuraminidase | 2 |
Data from ChEMBL 36 via Core Engine