Compound Detail
CHEMBL1928608
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Basic Information
| ChEMBL ID | CHEMBL1928608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUBKBQAAWUOYOW-CKIKVBCHSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
0.34
ALogP
4
HBA
4
HBD
112.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.66
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | IC50 | 8.66 | 8.4 | 2.2 | 2 |
| Neuraminidase CHEMBL1795169 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Neuraminidase CHEMBL1795169 | IC50 | 7.75 | 7.75 | 17.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | IC50 | = | 2.2 | nM | 8.66 | Antiviral activity against NP40-inactivated Influenza A virus (A/Brisbane/59/200... | 22001088 |
| Influenza A virus | IC50 | = | 7.3 | nM | 8.14 | Antiviral activity against NP40-inactivated Influenza A virus (A/Brisbane/59/200... | 22001088 |
| Neuraminidase | Ki | = | 7.5 | nM | 8.12 | Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant solu... | 22001088 |
| Neuraminidase | IC50 | = | 17.7 | nM | 7.75 | Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant solu... | 22001088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22001088 | 10.1016/j.bmcl.2011.09.076 | Neuraminidase | 6 |
| 22001088 | 10.1016/j.bmcl.2011.09.076 | Influenza A virus | 2 |
Data from ChEMBL 36 via Core Engine