profenofos

Identification (Source:EPA,EU)

ID 1556
Name profenofos
CAS 41198-08-7
IUPAC
Inchi InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
CIPAC 461
EPA Code 111401
Formula C11H15BrClO3PS
SMILES CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
Status Not Approved

Classification

Mode of Action Non-systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide
Chemical Group Organophosphate
Classification phenyl organothiophosphate insecticides
organothiophosphate insecticides

Properties (Source:PubChem)

Molecular Weight 373.63
Physical State Pale yellow liquid
AlogP 4.79
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 307.81
Polar Surface Area 70.64

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

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
Aquatic crustaceans Acute 96 hour LC50 0.0016 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.5 mg l-1
Birds Acute LD50 70 mg kg-1
Fish Acute 96 hour LC50 0.08 mg l-1
Honeybees Acute 48 hour LD50 0.095 μg bee-1
Mammals Acute oral LD50 358 mg kg-1
Mammals Short term dietary NOEL 0.3 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 1186

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 1266(12,19,23,76) Details
cholinesterase 146(1,2,5,21) Details
Fatty acid amide hydrolase 39(0,1,1,9) Details
CYP3A4 33(0,1,1,3) Details
CYP2D6 33(0,1,1,3) Details
CYP2C9 32(0,1,1,2) Details
CYP1A1 32(0,1,1,2) Details
CYP2B6 31(0,1,1,1) Details
CYP2C8 31(0,1,1,1) Details
cytochrome P450 (protein family or complex) 20(0,0,2,10) Details
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