Aloperine
AlkaPlorer ID: AK007141
Synonym: None
IUPAC Name: (1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
Structure
SMILES: C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C4[C@H]3NCCC4
InChI: InChI=1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12-,13+,14+,15+/m0/s1
InChIKey: SKOLRLSBMUGVOY-GBJTYRQASA-N
Reference
Identification and Synthesis of Quinolizidines with Anti-Influenza A Virus Activity
PubChem CID: 162147
CAS: 56293-29-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 232.37099999999995
TPSA？: 15.27
MolLogP？: 2.1689999999999996
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Canis lupus familiaris | MDCK | CC50 | 80000.0 | nM | 10.1021/acsmedchemlett.7b00376 |
| Canis lupus familiaris | MDCK | CC50 | 80000.0 | nM | 10.1021/ml500236n |
| Ebolavirus | Ebolavirus | EC50 | 12400.0 | nM | 10.1016/j.ejmech.2018.02.061 |
| Hepacivirus hominis | Hepatitis C virus | EC50 | 4320.0 | nM | 10.1016/j.ejmech.2017.12.002 |
| Homo sapiens | HEK-293T | CC50 | 200000.0 | nM | 10.1016/j.ejmech.2018.02.061 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -4.23 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 10.73 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | MT4 | CC50 | 86000.0 | nM | 10.1021/acsmedchemlett.7b00376 |
| Homo sapiens | MT4 | CC50 | 86200.0 | nM | 10.1021/acsmedchemlett.5b00339 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 1750.0 | nM | 10.1021/acsmedchemlett.5b00339 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 1750.0 | nM | 10.1021/acsmedchemlett.7b00376 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Inhibition | nan | % | 10.1021/acsmedchemlett.5b00339 |
| Influenza A virus | Influenza A virus | EC50 | 14500.0 | nM | 10.1021/acsmedchemlett.7b00376 |
| Influenza A virus | Influenza A virus | EC50 | 14500.0 | nM | 10.1021/ml500236n |
| Marburgvirus | Marburgvirus | EC50 | 10200.0 | nM | 10.1016/j.ejmech.2018.02.061 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | -6.148 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -5.83 | % | 10.21203/rs.3.rs-23951/v1 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.41 | % | 10.6019/CHEMBL4495565 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | EC50 | 102700.0 | nM | 10.1016/j.ejmech.2018.02.061 |
| None | Unchecked | CC50 | 235400.0 | nM | 10.1016/j.ejmech.2017.12.002 |
| None | Unchecked | EC50 | 1200.0 | nM | 10.1021/acsmedchemlett.5b00339 |
| None | Unchecked | EC50 | 1600.0 | nM | 10.1021/acsmedchemlett.5b00339 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acsmedchemlett.5b00339 |
| None | Unchecked | Ratio CC50/EC50 | 16.1 | None | 10.1016/j.ejmech.2018.02.061 |
| None | Unchecked | Ratio CC50/EC50 | 19.6 | None | 10.1016/j.ejmech.2018.02.061 |
| None | Unchecked | Ratio CC50/EC50 | 54.5 | None | 10.1016/j.ejmech.2017.12.002 |
| None | Unchecked | Ratio EC50 | 7.0 | None | 10.1021/acsmedchemlett.7b00376 |