letosteine
AlkaPlorer ID: AK112021
Synonym: '2-(2-((Carboxymethyl)thio)ethyl)-4-thiazolidinecarboxylic acid 2-ethyl ester'
IUPAC Name: 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethyl]-1,3-thiazolidine-4-carboxylic acid
Structure
SMILES: CCOC(=O)CSCCC1NC(C(=O)O)CS1
InChI: InChI=1S/C10H17NO4S2/c1-2-15-9(12)6-16-4-3-8-11-7(5-17-8)10(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)
InChIKey: IKOCLISPVJZJEA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus methanolicus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 279.383
TPSA？: 75.63
MolLogP？: 0.7884999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone deacetylase 6 | Inhibition | 9.09 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 21.04 | % | 10.6019/CHEMBL4808148 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 5.57 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 22.02 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Hit score | 0.08225 | None | 10.1101/2020.04.21.054387 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.06 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.08 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 23.06 | % | 10.21203/rs.3.rs-23951/v1 |