PYRIDABEN

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Synonyms
UNII 2E4JBA5272
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 DWFZBUWUXWZWKD-UHFFFAOYSA-N
Smiles CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C
InChI
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2OS
Molecular Weight 364.93
AlogP 4.43
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 57.97
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Pesticidal activity against Tetranychus cinnabarinus (carmine spider mite) third- instar larvae grown on Phaseolus vulgaris leaves assessed as pest mortality measured 48 hr post compound exposure Tetranychus cinnabarinus 5.5 ug.mL-1
Pesticidal activity against Tetranychus cinnabarinus (carmine spider mite) third- instar larvae grown on Phaseolus vulgaris leaves assessed as pest mortality at 25 mg/L measured 48 hr post compound exposure Tetranychus cinnabarinus 97.7 %
Pesticidal activity against Tetranychus cinnabarinus (carmine spider mite) third- instar larvae grown on Phaseolus vulgaris leaves assessed as pest mortality at 100 mg/L measured 48 hr post compound exposure Tetranychus cinnabarinus 100.0 %
Pesticidal activity against Tetranychus cinnabarinus (carmine spider mite) third- instar larvae grown on Phaseolus vulgaris leaves assessed as pest mortality at 400 mg/L measured 48 hr post compound exposure Tetranychus cinnabarinus 100.0 %
Pesticidal activity against Tetranychus cinnabarinus (carmine spider mite) third- instar larvae grown on Phaseolus vulgaris leaves assessed as pest mortality at 50 mg/L measured 48 hr post compound exposure Tetranychus cinnabarinus 100.0 %
Pesticidal activity against Tetranychus cinnabarinus (carmine spider mite) third- instar larvae grown on Phaseolus vulgaris leaves assessed as pest mortality at 200 mg/L measured 48 hr post compound exposure Tetranychus cinnabarinus 100.0 %
Adulticidal activity against female Bemisia tabaci biotype B (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 129.2 ppm
Biotype susceptibility ratio, ratio of LC50 for female adult Bemisia tabaci biotype Q (sweet potato whitefly) to LC50 for female adult Bemisia tabaci biotype B Bemisia tabaci 1.6
Adulticidal activity against female Bemisia tabaci biotype Q (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 210.9 ppm
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU7 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 34.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU11 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 39.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU9 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 26.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU4 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 4.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU3 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 18.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU12 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 9.8
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU5 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 5.9
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU2 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 11.0
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU1 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 4.5
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) field population TU6 to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 2.6
Resistance ratio, ratio of LC50 for adult Tetranychus urticae (two-spotted spider mite) laboratory strain GSS to LC50 for adult Tetranychus urticae laboratory strain SAMB measured after 24 hr Tetranychus urticae 0.7
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU7 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 221.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU11 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 248.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU9 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 166.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU4 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 26.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU3 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 117.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU12 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 62.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU5 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 38.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU2 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 71.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) greenhouse population TU1 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 29.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) field population TU6 in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 16.0 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) laboratory strain GSS in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 4.4 ug.mL-1
Acaricidal activity against adult Tetranychus urticae (two-spotted spider mite) laboratory strain SAMB in bean leaves assessed as mortality applied at 1 bar pressure measured after 24 hr Tetranychus urticae 6.4 ug.mL-1
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in reproduction of survivors applied as spray after 9 days Tetranychus urticae 49880.7 ppm
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in reproduction of survivors applied as spray after 7 days Tetranychus urticae 19425.1 ppm
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in reproduction of survivors applied as spray after 5 days Tetranychus urticae 19439.6 ppm
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in reproduction of survivors applied as spray after 3 days Tetranychus urticae 19162.1 ppm
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in immature production at 2101 ppm applied as spray after 3 to 6 days Tetranychus urticae None
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in egg production applied as spray after 3 to 6 days Tetranychus urticae None
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in survival at 2101.3 to 20446.5 ppm applied as spray after 3 days relative to control Tetranychus urticae None
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaves assessed as decrease in reproduction of survivors applied as spray after 1 day Tetranychus urticae 9118.1 ppm
Acaricidal activity against Tetranychus kanzawai in kidney bean leaf surface after 48 hr Tetranychus kanzawai 33.7 ppm
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) in kidney bean leaf surface after 48 hr Tetranychus urticae 34.5 ppm
n-octanol-water distribution coefficient, log KOW of the compound None 6.37
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 75 mg a.i./l, po administered through pollen for 11 weeks measured once a week for 11 weeks Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 75 mg a.i./l, po administered through sugar water for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 75 mg a.i./l applied on the dorsal thorax for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 75 mg a.i./l, po administered through pollen for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 90.0 %
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 75 mg a.i./l, po administered through sugar water measured after 9 to 11 weeks Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 75 mg a.i./l, po administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 95.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 75 mg a.i./l applied on the dorsal thorax measured up to 1 week Bombus terrestris None
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 75 mg a.i./l applied on the dorsal thorax for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 50.0 %
Resistance ratio of LC50 for spirodiclofen-resistant Tetranychus urticae SR-VP (two-spotted spider mite) adults to LC50 for spirodiclofen-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) adults Tetranychus urticae 0.9
Insecticidal activity against spirodiclofen-resistant Tetranychus urticae SR-VP (two-spotted spider mite) adults in kidney bean leaf disks assessed as mortality measured after 2 days Tetranychus urticae 135.0 ug.mL-1
Insecticidal activity against spirodiclofen-susceptible Tetranychus urticae LS-VL (two-spotted spider mite) adults in kidney bean leaf disks assessed as mortality after 2 day Tetranychus urticae 156.0 ug.mL-1
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean plants assessed as mortality at 1.25 mg/l after 48 hr relative to control Tetranychus cinnabarinus 0.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean plants assessed as mortality at 2.5 mg/l after 48 hr relative to control Tetranychus cinnabarinus 12.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean plants assessed as mortality at 5 mg/l after 48 hr relative to control Tetranychus cinnabarinus 22.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean plants assessed as mortality at 10 mg/l after 48 hr relative to control Tetranychus cinnabarinus 48.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean plants assessed as mortality at 20 mg/l after 48 hr relative to control Tetranychus cinnabarinus 57.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) in kidney bean plants assessed as mortality at 40 mg/l after 48 hr relative to control Tetranychus cinnabarinus 77.0 %

Cross References

Resources Reference
ChEMBL CHEMBL225963
FDA SRS 2E4JBA5272
PubChem 91754
SureChEMBL SCHEMBL27429
ZINC ZINC01543237
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