fenvalerate

Identification (Source:EPA,EU)

ID 271
Name fenvalerate
CAS 51630-58-1
IUPAC
Inchi InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
CIPAC 334
EPA Code 109301
Formula C25H22ClNO3
SMILES Clc1ccc(cc1)C(C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3)C(C)C
Status Not Approved

Classification

Mode of Action Non-systemic with contact and stomach action. Sodium channel modulator.
Pesticide Type Insecticide, Acaricide
Chemical Group Pyrethroid
Classification pyrethroid ester insecticides
pyrethroid ester acaricides

Properties (Source:PubChem)

Molecular Weight 419.90
Physical State Viscous yellow-brown liquid
AlogP 6.564
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 405.51
Polar Surface Area 59.32

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Chronic 96 hour NOEC, growth 10 mg l-1
Algae Acute 72 hour EC50, growth 50 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.000005 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.00008 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.00003 mg l-1
Birds Acute LD50 9932 mg kg-1
Earthworms Acute 14 day LD50 40 mg kg-1
Fish Acute 96 hour LC50 0.0036 mg l-1
Honeybees Acute 48 hour LD50 0.23 μg bee-1
Mammals Acute oral LD50 451 mg kg-1
Mammals Short term dietary NOEL 250 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 1664

Related targets

Target Name RScore (About this table)
cytochrome P450 side chain cleavage enzyme 502(6,6,8,12) Details
sodium channel (protein family or complex) 384(3,6,9,39) Details
Acetylcholinesterase 345(3,4,13,30) Details
androgen receptor 254(3,3,4,9) Details
calcineurin (protein family or complex) 270(2,5,5,20) Details
ribonuclease 162(2,2,2,2) Details
calmodulin 189(1,4,6,9) Details
estrogen receptor 185(1,4,4,15) Details
ATPase 150(1,2,7,15) Details
alkaline phosphatase 105(1,1,4,10) Details
ERbeta 84(1,1,1,4) Details
CYP2D6 83(1,1,1,3) Details
beta glucuronidase 81(1,1,1,1) Details
connexin 32 81(1,1,1,1) Details
protein kinase C (protein family or complex) 124(0,4,4,4) Details
cytochrome P450 (protein family or complex) 67(0,1,4,22) Details
follicle stimulating hormone (protein family or complex) 40(0,1,2,5) Details
protein phosphatases 34(0,1,1,4) Details
steroidogenic acute regulatory protein 33(0,1,1,3) Details
CYP3A4 33(0,1,1,3) Details
cAMP dependent protein kinase (protein family or complex) 32(0,1,1,2) Details
CMAP 31(0,1,1,1) Details
ATPases 31(0,1,1,1) Details
calcineurin inhibitors 31(0,1,1,1) Details
olfactory receptor 31(0,1,1,1) Details
lactate dehydrogenase (protein family or complex) 27(0,0,4,7) Details
alanine aminotransferase 24(0,0,4,4) Details
aspartate aminotransferase 24(0,0,4,4) Details
succinate dehydrogenase (protein family or complex) 20(0,0,3,5) Details
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