FENITROXON

/static/temp/default.svg Search structure
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 MJNAIAPNXYJWCT-UHFFFAOYSA-N
Smiles COP(=O)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]
InChI
InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12NO6P
Molecular Weight 261.17
AlogP 1.79
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 100.39
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Drug uptake in Spodoptera litura assessed as recovered drug level 0.2 ug/insect after 3 hr Spodoptera litura 87.8 %
Drug uptake in Spodoptera litura assessed as recovered drug level 0.2 ug/insect after 0.5 hr Spodoptera litura 96.4 %
Drug uptake in Spodoptera litura assessed as penetrated drug level 0.2 ug/insect after 3 hr Spodoptera litura 62.4 %
Drug uptake in Spodoptera litura assessed as penetrated drug level 0.2 ug/insect after 0.5 hr Spodoptera litura 51.5 %
Drug uptake in Spodoptera litura assessed as unchanged drug level 0.2 ug/insect after 0.5 hr Spodoptera litura 42.7 %
Drug uptake in Spodoptera litura assessed as surface residue level 0.2 ug/insect after 3 hr Spodoptera litura 25.3 %
Drug uptake in Spodoptera litura assessed as surface residue level 0.2 ug/insect after 0.5 hr Spodoptera litura 44.9 %
Octanol-water partition coefficient, log P of the compound by shake-flask method None 1.69
Resistance ratio, LC50 for OP-resistance Chilo suppressalis Hata-f (rice stem borer) to OP-susceptible Chilo suppressalis S (rice stem borer) strain Chilo suppressalis 23.0
Insecticidal activity against OP-resistance Chilo suppressalis Hata-f (rice stem borer) assessed as mortality measured after 24 hr Chilo suppressalis 27.0 mg.kg-1
Insecticidal activity against OP-susceptible Chilo suppressalis S (rice stem borer) strain assessed as mortality measured after 24 hr Chilo suppressalis 1.2 mg.kg-1
Ratio of I50 of acetylcholinesterase in Laodelphax striatella Ibaraki (small brown planthopper) homogenate to I50 for acetylcholinesterase in susceptible Laodelphax striatella homogenate Laodelphax striatella 1.0
Ratio of I50 of acetylcholinesterase in Laodelphax striatella Kumamoto (small brown planthopper) homogenate to I50 for acetylcholinesterase in susceptible Laodelphax striatella homogenate Laodelphax striatella 2.1
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 360.0 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 730.0 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 350.0 nM
Inhibition of carboxylesterase major isoform in organophosphate-resistant Chilo suppressalis (rice stem borer) midgut soluble fraction at 15 ng Chilo suppressalis None
Drug uptake in Malpighian tubules of organophosphate-resistant Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 2.1 nmol/hr
Drug uptake in haemolymph of organophosphate-resistant Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.1 nmol/hr
Drug uptake in cuticle/muscle of organophosphate-resistant Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.24 nmol/hr
Drug uptake in fat body of organophosphate-resistant Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.35 nmol/hr
Drug uptake in midgut of organophosphate-resistant Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 1.5 nmol/hr
Drug uptake in Malpighian tubules of wild-type Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.24 nmol/hr
Drug uptake in haemolymph of wild-type Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.042 nmol/hr
Drug uptake in cuticle/muscle of wild-type Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.044 nmol/hr
Drug uptake in fat body of wild-type Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.052 nmol/hr
Drug uptake in midgut of wild-type Chilo suppressalis (rice stem borer) fifth-instar larvae assessed per mg protein by liquid scintillation counting Chilo suppressalis 0.22 nmol/hr

Cross References

Resources Reference
ChEMBL CHEMBL158718
PubChem 16738
SureChEMBL SCHEMBL8976850
ZINC ZINC02038743
CONTENTS