CHROMAFENOZIDE

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Synonyms
UNII 2ODM465D5M
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 HPNSNYBUADCFDR-UHFFFAOYSA-N
Smiles Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2ccc3OCCCc3c2C)C(C)(C)C
InChI
InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N2O3
Molecular Weight 394.51
AlogP 4.98
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 58.64
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0
Assay Description Organism Bioactivity Reference
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 200 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 100 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 50 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 25 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 10 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 200 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 100 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 50 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 10 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 100.0 %
Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 200 mg/L measured after 3 days by leaf-dip method Plutella xylostella 100.0 %
Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 100 mg/L measured after 3 days by leaf-dip method Plutella xylostella 100.0 %
Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 50 mg/L measured after 3 days by leaf-dip method Plutella xylostella 100.0 %
Stomach toxicity against third-instar Ostrinia nubilalis (European corn borer) in compound treated fresh corn leaves assessed as insecticidal activity at 200 mg/L measured after 4 days by leaf-dip method Ostrinia nubilalis 100.0 %
Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 0.5 mg/kg measured after 7 to 10 days Culex pipiens pallens 10.0 %
Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 1 mg/kg measured after 7 to 10 days Culex pipiens pallens 80.0 %
Stomach toxicity in Ostrinia nubilalis (European corn borer) in compound treated corn leaves assessed as mortality measured after 4 days by leaf-dip method Ostrinia nubilalis 139.25 mg/L Stomach toxicity in Ostrinia nubilalis (European corn borer) in compound treated corn leaves assessed as mortality measured after 4 days by leaf-dip method Ostrinia nubilalis 18.61 ug.mL-1
Contact toxicity in Helicoverpa armigera assessed as mortality at 1000 mg/L by topical application measured after 4 days by leaf-dip method Helicoverpa armigera 60.0 %
Stomach toxicity in Helicoverpa armigera in compound treated corn leaves assessed as mortality at 1000 mg/L measured after 4 days by leaf-dip method Helicoverpa armigera 65.0 %
Contact toxicity in fourth-instar Plutella xylostella (diamondback moth) larva assessed as mortality measured after 72 hr by insect-dip method Plutella xylostella 122.9 ug.mL-1
Contact toxicity in fourth-instar Plutella xylostella (diamondback moth) larva assessed as mortality measured after 48 hr by insect-dip method Plutella xylostella 235.9 ug.mL-1
Contact toxicity in fourth-instar Spodoptera exigua assessed as mortality by topical application measured after 48 hr Spodoptera exigua 29.8 mg/L
Contact toxicity in fourth-instar Spodoptera exigua assessed as mortality by topical application measured after 72 hr Spodoptera exigua 14.9 mg/L
Stomach toxicity in Spodoptera exigua in compound treated cabbage leaves assessed as mortality measured after 3 days by leaf-dip method Spodoptera exigua 6.3 ug.mL-1
Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 2 mg/kg measured after 7 to 10 days Culex pipiens pallens 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 2.5 mg/kg measured after 4 days Mythimna separata 80.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 5 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 10 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 25 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 50 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 100 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata(Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 200 mg/kg measured after 4 days Mythimna separata 100.0 %
Dissociation constant, pKa of the compound at pH 7.3 None 0.0
Apparent hydrophobicity, log D of the compound in Octanol-buffer None 2.7
Apparent permeability of the compound by PAMPA None -4.78
Hydrophobicity, log P of the compound in octanol-water by shaking-flask method None 2.7
Ratio of LD50 for Spodoptera littoralis to LD50 for Bombyx mori None 1.12
Larvicidal activity against Spodoptera littoralis assessed as mortality applied topically after 1 week Spodoptera littoralis 7.53
Larvicidal activity against Bombyx mori assessed as mortality applied topically after 1 week Bombyx mori 7.55
Selectivity ratio of EC50 for ecdysone receptor in Bombyx mori Bm5 cells to EC50 for ecdysone receptor in Spodoptera littoralis Sl2 cells None 0.38
Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide Spodoptera littoralis 103.0 %
Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay Spodoptera littoralis 2.63 nM
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide Bombyx mori 98.0 %
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay Bombyx mori 1.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL227020
FDA SRS 2ODM465D5M
PubChem 10157484
SureChEMBL SCHEMBL73335
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