PENTHIOPYRAD

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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 PFFIDZXUXFLSSR-UHFFFAOYSA-N
Smiles CC(C)CC(C)c1sccc1NC(=O)c2cn(C)nc2C(F)(F)F
InChI
InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20F3N3OS
Molecular Weight 359.41
AlogP 4.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 75.16
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in Lagenaria siceraria Emphasis continuously after first drug application assessed as disease severity on lower surface areas of cotyledons at 20.6% in 1.36 ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 13.9%) Podosphaera xanthii 0.3 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in Lagenaria siceraria Emphasis continuously after first drug application assessed as disease severity on upper surface areas of cotyledons at 20.6% in 1.36 ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 36.8%) Podosphaera xanthii 0.9 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in Lagenaria siceraria Emphasis continuously after first drug application assessed as disease severity at 20.6% in 1.36 ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 53.5%) Podosphaera xanthii 1.3 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in Lagenaria siceraria Emphasis continuously after first drug application assessed as incidence of disease symptoms on hypocotyls or upper or lower sides of cotyledons at 20.6% in 1.36 ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 100%) Podosphaera xanthii 14.6 %
Phytotoxicity against inter-specific squash hybrid Cucurbita moschata x Cucurbita maxima (Strong tosa) rootstock seedlings assessed as stunting Cucurbita moschata x Cucurbita maxima None
Phytotoxicity against Lagenaria siceraria 'Emphasis' rootstock seedlings assessed as stunting Lagenaria siceraria None
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as disease severity on lower surface areas of cotyledonsat 20.6% in 1.36 ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 5.1%) Podosphaera xanthii 0.03 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as disease severity on upper surface areas of cotyledonsat 20.6% in 1.36 ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 10.2%) Podosphaera xanthii 0.0 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as disease severity at 20.6% in 1.36 ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 17.5%) Podosphaera xanthii 0.05 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as incidence of disease symptoms on hypocotyls or upper or lower sides of cotyledons at 20.6% in 1.36 ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 100%) Podosphaera xanthii 2.3 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in squash (Cucurbita pepo) rootstock seedlings continuously after first drug application assessed as disease severity at 20.6% in 1.36 ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 3.9%) Podosphaera xanthii 0.0 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in squash (Cucurbita pepo) rootstock seedlings continuously after first drug application assessed as incidence of disease symptoms on hypocotyls or upper or lower sides of cotyledons at 20.6% in 1.36 ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 78.9-100%) Podosphaera xanthii 0.0 %
Fungicidal activity against Magnaporthe grisea spores inoculated on leaves of compound pre-treated 2 or 3 leaf-stage rice plants assessed as rice blast disease control level at 50 ppm measured after 7 days post fungal inoculation Magnaporthe grisea 95.0 %
Fungicidal activity against Puccinia recondita spores inoculated on leaves of compound pre-treated 1.5 leaf-stage wheat plants assessed as wheat brown rust disease control level at 25 ppm measured after 8 days post fungal inoculation Puccinia recondita 95.0 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) spores inoculated on leaves of compound pre-treated 1.5 leaf-stage cucumber plants assessed as powdery mildew disease control level at 25 ppm measured after 7 days post fungal inoculation Podosphaera xanthii 95.0 %
Fungicidal activity against Botryotinia fuckeliana spores inoculated on leaves of compound pre-treated seed-leaf stage kidney beans assessed as gray mold disease control level at 62.5 ppm measured after 4 days post fungal inoculation Botryotinia fuckeliana 95.0 %
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae MDR to EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 by germ tube elongation assay Oculimacula yallundae 12.0
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae MDR to EC50 for wild type Oculimacula yallundae TriS by germ tube elongation assay Oculimacula yallundae 12.0
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR2 to EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 by germ tube elongation assay Oculimacula yallundae 1.0
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR2 to EC50 for wild type Oculimacula yallundae TriS by germ tube elongation assay Oculimacula yallundae 1.0
Resistance index, ratio of EC50 for sterol 14alpha-demethylation inhibitor-resistant Oculimacula yallundae TriR1 to EC50 for wild type Oculimacula yallundae TriS by germ tube elongation assay Oculimacula yallundae 1.0
Fungicidal activity against Oculimacula yallundae assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula yallundae 0.02 ug.mL-1
Antifungal activity against boscalid-resistant Alternaria alternata expressing AaSDHD H133R mutant assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 88.7 %
Antifungal activity against boscalid-resistant Alternaria alternata expressing AaSDHC H134R mutant assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 85.07 %
Antifungal activity against boscalid-resistant Alternaria alternata expressing AaSDHB H277Y mutant assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 90.53 %
Antifungal activity against wild type Alternaria alternata assessed as inhibition of mycelial growth at 10 ppm relative to untreated control Alternaria alternata 89.73 %

Cross References

Resources Reference
ChEMBL CHEMBL2251844
PubChem 11388558
SureChEMBL SCHEMBL18701
CONTENTS