PARAOXON

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII Q9CX8P80JW
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key WYMSBXTXOHUIGT-UHFFFAOYSA-N
Smiles CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14NO6P
Molecular Weight 275.2
AlogP 2.0
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 100.38
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 0-13
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Diabrotica undecimpunctata
- - - - 50-100
Drosophila melanogaster
- - - - 0-13

Cross References

Resources Reference
ChEMBL CHEMBL23838
FDA SRS Q9CX8P80JW
PubChem 9395
SureChEMBL SCHEMBL26405
ZINC ZINC01530487
CONTENTS