4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione; (1S,3S,5S,αR)-form
AlkaPlorer ID: AK296650
Synonym: None
IUPAC Name: 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione
Structure
SMILES: CC1CC(C)C(=O)C(C(O)CC2CC(=O)N=C(O)C2)C1
InChI: InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)
InChIKey: YPHMISFOHDHNIV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces griseus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 281.35200000000003
TPSA？: 86.96
MolLogP？: 1.8818
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | Unchecked | Potency | 54.0 | nM | None |
| None | Unchecked | Potency | 60.5 | nM | None |
| None | Unchecked | Potency | 76.2 | nM | None |
| None | Unchecked | Potency | 191.4 | nM | None |
| None | Unchecked | Potency | 1085.9 | nM | None |
| None | Unchecked | Potency | 1520.6 | nM | None |
| None | Unchecked | Potency | 1706.2 | nM | None |
| None | Unchecked | Potency | 1914.4 | nM | None |
| None | Unchecked | Potency | 17061.9 | nM | None |