Compound Detail
CHEMBL556810
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CC(=O)N[C@H]1[C@H]([C@H](OC(=O)NCc2cn(CCOCCOCCOCCOCCNC(=O)COc3ccc(-c4c5nc(c(-c6ccc(OCC(=O)NCCOCCOCCOCCOCCn7cc(CNC(=O)O[C@@H]([C@@H]8OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]8NC(C)=O)[C@H](O)CO)nn7)cc6)c6ccc([nH]6)c(-c6ccc(OCC(=O)NCCOCCOCCOCCOCCn7cc(CNC(=O)O[C@@H]([C@@H]8OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]8NC(C)=O)[C@@H](O)CO)nn7)cc6)c6nc(c(-c7ccc(OCC(=O)NCCOCCOCCOCCOCCn8cc(CNC(=O)O[C@@H]([C@@H]9OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]9NC(C)=O)[C@H](O)CO)nn8)cc7)c7ccc4[nH]7)C=C6)C=C5)cc3)nn2)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N
Basic Information
| ChEMBL ID | CHEMBL556810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHQSOYWBSNIREF-IZLVFUDSSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3541.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
EC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Neuraminidase CHEMBL6135 | IC50 | 8.43 | 8.275 | 3.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 0.1 | nM | 10.0 | Antiviral activity against influenza A virus A/WSN/1933 H1N1 infected in MDCK ce... | 19522501 |
| Neuraminidase | IC50 | = | 3.7 | nM | 8.43 | Inhibition of influenza A virus A/WSN/1933 H1N1 neuraminidase using NA-STAR subs... | 19522501 |
| Neuraminidase | IC50 | = | 7.6 | nM | 8.12 | Inhibition of influenza A virus A/Vietnam/1194/2004 H5N1 neuraminidase using NA-... | 19522501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19522501 | 10.1021/jm900515g | Influenza A virus | 13 |
| 19522501 | 10.1021/jm900515g | Neuraminidase | 2 |
| 19522501 | 10.1021/jm900515g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine