Compound Detail
CHEMBL2151345
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COC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](n5cc6cc7ccccc7cc6c5Sc5ncccn5)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O)Oc3ccc(cc3)[C@H]2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
Basic Information
| ChEMBL ID | CHEMBL2151345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZGOHQXDPPEMME-PTICVYIASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1434.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| H3N2 subtype CHEMBL613193 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 80.0 | nM | 7.1 | Antiviral activity against Influenza A/PR/8/34 infected in MDCK cells assessed a... | 23149298 |
| H3N2 subtype | EC50 | = | 360.0 | nM | 6.44 | Antiviral activity against Influenza A/HK/7/87 infected in MDCK cells assessed a... | 23149298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23149298 | 10.1016/j.ejmech.2012.10.030 | Enterococcus faecalis | 3 |
| 23149298 | 10.1016/j.ejmech.2012.10.030 | Staphylococcus aureus | 2 |
| 23149298 | 10.1016/j.ejmech.2012.10.030 | Staphylococcus epidermidis | 2 |
| 23149298 | 10.1016/j.ejmech.2012.10.030 | Bacillus subtilis | 1 |
| 23149298 | 10.1016/j.ejmech.2012.10.030 | Influenza A virus | 1 |
| 23149298 | 10.1016/j.ejmech.2012.10.030 | H3N2 subtype | 1 |
| 23149298 | 10.1016/j.ejmech.2012.10.030 | Influenza B virus | 1 |
| 23149298 | 10.1016/j.ejmech.2012.10.030 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine