CARBARIL

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Synonyms
Status
Molecule Category Free-form
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

Pharmacology

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
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - - 49
Laodelphax striatella
- 48-310 - - -
Musca domestica
- 200 - - -
Nephotettix cincticeps
- 29 - - -

Cross References

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