ethyl (2R,3aR,8aR)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole-2-carboxylate
AlkaPlorer ID: AK497422
Synonym: None
IUPAC Name: ethyl (2R,3aR,8aR)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole-2-carboxylate
Structure
SMILES: CCOC(=O)[C@H]1C[C@H]2C(=O)CCCC[C@H]2N1S(=O)(=O)C1=CC=C(C)C=C1
InChI: InChI=1S/C19H25NO5S/c1-3-25-19(22)17-12-15-16(6-4-5-7-18(15)21)20(17)26(23,24)14-10-8-13(2)9-11-14/h8-11,15-17H,3-7,12H2,1-2H3/t15-,16-,17-/m1/s1
InChIKey: QBYPKINOCXNXSV-BRWVUGGUSA-N
Reference
PubChem CID: 84223989
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 379.47800000000007
TPSA？: 80.75
MolLogP？: 2.449020000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepacivirus hominis | Hepatitis C virus | EC50 | 6100.0 | nM | 10.1016/j.ejmech.2016.06.041 |
| Hepacivirus hominis | Hepatitis C virus | EC50 | 7100.0 | nM | 10.1016/j.ejmech.2016.06.041 |
| Hepacivirus hominis | Hepatitis C virus | Inhibition | 84.0 | % | 10.1016/j.ejmech.2016.06.041 |
| Hepacivirus hominis | Hepatitis C virus | Inhibition | 89.0 | % | 10.1016/j.ejmech.2016.06.041 |
| Hepacivirus hominis | Internal ribosome entry site (IRES) | Inhibition | nan | % | 10.1016/j.ejmech.2016.06.041 |
| None | NON-PROTEIN TARGET | Activity | 77.0 | % | 10.1016/j.ejmech.2016.06.041 |
| None | NON-PROTEIN TARGET | CC50 | 200000.0 | nM | 10.1016/j.ejmech.2016.06.041 |
| None | Unchecked | Activity | nan | None | 10.1016/j.ejmech.2016.06.041 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.ejmech.2016.06.041 |
| None | Unchecked | Ratio CC50/EC50 | 28.2 | None | 10.1016/j.ejmech.2016.06.041 |
| None | Unchecked | Ratio CC50/EC50 | 32.8 | None | 10.1016/j.ejmech.2016.06.041 |