FLUBENDIAMIDE

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Synonyms
UNII GEV84ZI4K6
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 ZGNITFSDLCMLGI-UHFFFAOYSA-N
Smiles Cc1cc(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)CS(=O)(=O)C)C(F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22F7IN2O4S
Molecular Weight 682.39
AlogP 5.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 100.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against adult Myzus persicae (green peach aphid) in compound treated cabbage leaves assessed as mortality at 25 degC and 85% RH for 24 hr Myzus persicae 184.1 ug.mL-1
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality treated for 10 secs before larva infestation measured for 3 days by dipping method Plutella xylostella 0.15 ug.mL-1
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality at 0.1 ug/ml treated for 10 secs before larva infestation measured for 3 days by dipping method Plutella xylostella 20.0 %
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality at 0.5 ug/ml treated for 10 secs before larva infestation measured for 3 days by dipping method Plutella xylostella 90.0 %
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality at 1 ug/ml treated for 10 secs before larva infestation measured for 3 days by dipping method Plutella xylostella 95.0 %
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality at 5 ug/ml treated for 10 secs before larva infestation measured for 3 days by dipping method Plutella xylostella 100.0 %
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality at 10 ug/ml treated for 10 secs before larva infestation measured after 3 days by dipping method Plutella xylostella 100.0 %
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality at 10 ug/ml treated for 10 secs before larva infestation measured after 2 days by dipping method Plutella xylostella 67.0 %
Insecticidal activity against third-instar larval stage of Plutella xylostella (diamondback moth) in cabbage leaves assessed as mortality at 100 ug/ml treated for 10 secs before larva infestation measured after 2 days by dipping method Plutella xylostella 100.0 %
Activation of ryanodine receptor in sixth-instar larvae of Spodoptera litura muscle membrane assessed as induction of Ca2+ pump at 0.1 uM after 30 min in presence of ryanodine Spodoptera litura None
Activation of ryanodine receptor in sixth-instar larvae of Spodoptera litura muscle membrane assessed as induction of Ca2+ pump after 30 min Spodoptera litura 1.0 nM
Insecticidal activity against Spodoptera litura cabbage leaf disk after 4 to 7 days by leaf dipping method Spodoptera litura 0.03 ppm
Insecticidal activity against Myzus persicae (green peach aphid) assessed as mortality by greenhouse assay Myzus persicae 200.0 ppm
Insecticidal activity against Plutella xylostella (diamondback moth) assessed as mortality by greenhouse assay Plutella xylostella 3.1 ppm
Insecticidal activity against Spodoptera littoralis assessed as mortality by greenhouse assay Spodoptera littoralis 3.1 ppm
Lipophilicity, log P of the compound None 4.2
Aqueous solubility of the compound at pH 7 None 0.3 ppm
Displacement of [3H]-Tritium-N-(4-chloro-2-methyl-6-(methylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide from Myzus persicae (green peach aphid) ryanodine receptor Myzus persicae 57.0 ppm
Displacement of [3H]-Tritium-N-(4-chloro-2-methyl-6-(methylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide from Spodoptera littoralis ryanodine receptor Spodoptera littoralis 10.0 ppm
Insecticidal activity against Plutella xylostella (diamondback moth) third-instar larvae reared on 10 ug/mL compound pre-treated cabbage leaf disks assessed as insect mortality measured after 3 days post compound treatment by leaf dipping method Plutella xylostella 100.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) third-instar larvae reared on 10 ug/mL compound pre-treated cabbage leaf disks assessed as insect mortality measured after 2 days post compound treatment by leaf dipping method Plutella xylostella 67.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) third-instar larvae reared on 100 ug/mL compound pre-treated cabbage leaf disks assessed as insect mortality measured after 2 days post compound treatment by leaf dipping method Plutella xylostella 100.0 %
Toxicity in adult of Misumenops tricuspidatus after 4 days by insect dipping method Misumenops 200.0 mgAi/L
Toxicity in adult of Pardosa pseudoannulata after 4 days by insect dipping method Pardosa pseudoannulata 100.0 mgAi/L
Toxicity in adult of Phytoseiulus persimilis after 2 days by spraying on food and insect method Phytoseiulus persimilis 200.0 mgAi/L
Toxicity in adlult of Neoseiulus cucumeris after 2 days by spraying on food and insect method Neoseiulus cucumeris 200.0 mgAi/L
Toxicity in larvae of Aphidoletes aphidimyza after 2 days by spraying on food and insect method Aphidoletes aphidimyza 100.0 mgAi/L
Toxicity in larvae of Chrysoperla carnea after 2 days by spraying on food and insect method Chrysoperla carnea 100.0 mgAi/L
Toxicity in adult of Orius strigicollis after 2 days by spraying on food and insect method Orius strigicollis 100.0 mgAi/L
Toxicity in adult Cotesia glomerata after 2 days by dry film method Cotesia glomerata 100.0 mgAi/L
Toxicity in adlult of Aphidius colemani after 2 days by dry film method Aphidius colemani 400.0 mgAi/L
Toxicity in adult Encarsia formosa after 2 days by dry film method Encarsia formosa 400.0 mgAi/L
Toxicity in adult of Coccinella septempunctata brucki after 4 days by insect dipping method Coccinella septempunctata brucki 200.0 mgAi/L
Toxicity in adult of Harmonia axyridis after 4 days by insect dipping method Harmonia axyridis 200.0 mgAi/L
Insecticidal activity against fourth-instar larvae of Adoxophyes honmai in tea leaf Adoxophyes honmai 0.38 mgAi/L
Insecticidal activity against fourth-instar larvae of Homona magnanima in tea leaf Homona magnanima 0.58 mgAi/L
Insecticidal activity against third-instar larvae of Chilo suppressalis (rice stem borer) in cabbage leaf Chilo suppressalis 0.01 mgAi/L
Insecticidal activity against third-instar larvae of Hellula undalis in cabbage leaf Hellula undalis 0.01 mgAi/L
Insecticidal activity against second to third-instar larvae of Pieris rapae crucivora Pieris rapae crucivora 0.03 mgAi/L
Insecticidal activity against two to third-instar larvae of Agrotis segetum in cabbage leaf Agrotis segetum 0.18 mgAi/L
Insecticidal activity against Helicoverpa armigera Helicoverpa armigera None
Insecticidal activity against third-instar larvae of Autographa nigrisigna in cabbage leaf Autographa nigrisigna 0.02 mgAi/L
Insecticidal activity against third-instar larvae of insecticide-resistant Plutella xylostella (diamondback moth) in cabbage leaf disk after 4 to 7 days by leaf dipping method Plutella xylostella 0.002 mgAi/L
Insecticidal activity against sixth-instar larvae of Spodoptera litura assessed as sustained body contraction at 0.24 ug/larvae after 24 hr Spodoptera litura None
Insecticidal activity against fifth-instar larvae of Spodoptera litura assessed as thickening and shortening without convulsion at 100 mg/l after 24 hr Spodoptera litura None
Insecticidal activity against fifth-instar larvae of Spodoptera litura assessed as gradual contraction of insect body at 100 mg/l after 24 hr Spodoptera litura None
Insecticidal activity against third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf disk after 4 to 7 days by leaf dipping method Plutella xylostella 0.001 mgAi/L
Insecticidal activity against fifth-instar larvae of Spodoptera litura in cabbage leaf disk after 4 to 7 days by leaf dipping method Spodoptera litura 0.03 mgAi/L

Cross References

Resources Reference
ChEMBL CHEMBL563789
FDA SRS GEV84ZI4K6
PubChem 11193251
SureChEMBL SCHEMBL27362
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