chlorimuron-ethyl
AlkaPlorer ID: AK262960
Synonym: None
IUPAC Name: ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Structure
SMILES: CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC1=NC(Cl)=CC(OC)=N1
InChI: InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
InChIKey: NSWAMPCUPHPTTC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 414.82700000000017
TPSA？: 136.57999999999998
MolLogP？: 1.8257
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Arabidopsis thaliana | Acetolactate synthase | Ki | 8.0 | nM | 10.1021/jm301501k |
| Arabidopsis thaliana | Acetolactate synthase | Ki | 10.8 | nM | 10.1073/pnas.0508701103 |
| Candida albicans | Candida albicans | Activity | 8.0 | % | 10.1016/j.ejmech.2018.11.005 |
| Candida albicans | Candida albicans | IZ | 25.0 | mm | 10.1021/jm301501k |
| Candida albicans | Candida albicans | MIC50 | 2000.0 | nM | 10.1021/jm301501k |
| Cyperus iria | Cyperus iria | Activity | 92.23 | % | 10.3390/molecules171012187 |
| Cyperus iria | Cyperus iria | EC50 | 12.89 | ug.mL-1 | 10.3390/molecules171012187 |
| Dactylis glomerata | Dactylis glomerata | Activity | 78.25 | % | 10.3390/molecules171012187 |
| Dactylis glomerata | Dactylis glomerata | EC50 | 15.23 | ug.mL-1 | 10.3390/molecules171012187 |
| Echinochloa crus-galli | Echinochloa crus-galli | Activity | 98.32 | % | 10.3390/molecules171012187 |
| Echinochloa crus-galli | Echinochloa crus-galli | EC50 | 10.65 | ug.mL-1 | 10.3390/molecules171012187 |
| Oryctolagus cuniculus | Oryctolagus cuniculus | LD50 | 2000.0 | mg.kg-1 | 10.1021/jm301501k |
| Rattus norvegicus | Rattus norvegicus | LD50 | 4000.0 | mg.kg-1 | 10.1021/jm301501k |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC50 | 19500.0 | nM | 10.1021/jm301501k |
| Saccharomyces cerevisiae S288c | Acetolactate synthase catalytic subunit, mitochondrial | Ki | 3.3 | nM | 10.1021/jm301501k |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 15.9 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.14 | % | 10.6019/CHEMBL4495565 |
| Trifolium repens | Trifolium repens | Activity | 95.69 | % | 10.3390/molecules171012187 |
| Trifolium repens | Trifolium repens | EC50 | 9.98 | ug.mL-1 | 10.3390/molecules171012187 |
| None | ADMET | LD50 | 2000.0 | mg.kg-1 | 10.1016/j.ejmech.2018.11.005 |
| None | ADMET | LD50 | 4000.0 | mg.kg-1 | 10.1016/j.ejmech.2018.11.005 |
| None | Unchecked | Ki | 7.0 | nM | 10.1021/jm301501k |