Cefalonium
AlkaPlorer ID: AK318590
Synonym: None
IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Structure
SMILES: N=C(O)C1=CC=[N+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](N=C(O)CC4=CC=CS4)[C@H]3SC2)C=C1
InChI: InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1
InChIKey: FMZXNVLFJHCSAF-DNVCBOLYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sargentodoxa cuneata | Sargentodoxa | Lardizabalaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 458.5210000000001
TPSA？: 140.99
MolLogP？: 0.4058700000000017
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone deacetylase 6 | Inhibition | -9.58 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -7.78 | % | 10.6019/CHEMBL4808148 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 3.198 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.01 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 6.36 | % | 10.21203/rs.3.rs-23951/v1 |
| None | Unchecked | Ac50 | 0.631 | uM | None |
| None | Unchecked | AC50 | 631.0 | nM | None |