CARBARIL

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Synonyms
Status
Molecule Category UNKNOWN
UNII R890C8J3N1
EPA CompTox DTXSID9020247

Structure

InChI Key CVXBEEMKQHEXEN-UHFFFAOYSA-N
Smiles CNC(=O)Oc1cccc2ccccc12
InChI
InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11NO2
Molecular Weight 201.22
AlogP 2.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Bioactivity

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 48-310 - - 49
Enzyme
- 48-310 - - 49
Assay Description Organism Bioactivity Reference
Inhibition of Anopheles gambiae AChE Anopheles gambiae 49.0 %
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr Cheumatopsyche 0.0214 ug.mL-1
Insecticidal activity against Daphnia magna after 48 hr Daphnia magna 0.0056 ug.mL-1
Inhibition of acetylcholinesterase in Laodelphax striatella Ibaraki (small brown planthopper) homogenate preincubated for 10 min before substrate addition measured after 10 min by Ellman method Laodelphax striatella 48.0 nM
Inhibition of acetylcholinesterase in Laodelphax striatella Kumamoto (small brown planthopper) homogenate preincubated for 10 min before substrate addition measured after 10 min by Ellman method Laodelphax striatella 310.0 nM
Inhibition of acetylcholinesterase in susceptible Laodelphax striatella (small brown planthopper) homogenate preincubated for 10 min before substrate addition measured after 10 min by Ellman method Laodelphax striatella 48.0 nM
Inhibition of Musca domestica (house fly) NAIDM head acetylcholinesterase Musca domestica 200.0 nM
Inhibition of drug-susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase Nephotettix cincticeps 29.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens -1.78 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 3.38 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 7.881 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.27 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.06 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.06 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.27 %

Cross References

Resources Reference
ChEBI 3390
ChEMBL CHEMBL46917
DrugBank DB15930
DrugCentral 3066
FDA SRS R890C8J3N1
KEGG C07491
PubChem 6129
SureChEMBL SCHEMBL26737
ZINC ZINC000000001090
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