malathion

Identification (Source:EPA,EU)

ID 222
Name malathion
CAS 121-75-5
IUPAC
Inchi InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
CIPAC 12
EPA Code
Formula C10H19O6PS2
SMILES O=C(OCC)C(SP(=S)(OC)OC)CC(=O)OCC
Status Approved

Classification

Mode of Action Broad-spectrum, non-systemic with contact, stomach and respiratory action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide, Veterinary treatment
Chemical Group Organophosphate
Classification organothiophosphate acaricides
organothiophosphate insecticides
aliphatic organothiophosphate insecticides

Properties (Source:PubChem)

Molecular Weight 330.36
Physical State Clear to amber liquid
AlogP 1.787
H-Bond Donor 0
H-Bond Acceptor 8
Surface Area 328.29
Polar Surface Area 138.26

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
Algae Acute 72 hour EC50, growth 13 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.0015 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0007 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.00006 mg l-1
Birds Acute LD50 359 mg kg-1
Birds Short term dietary LC50/LD50 554 mg/kg bw/day
Earthworms Acute 14 day LD50 306 mg kg-1
Fish Chronic 21 day NOEC 0.091 mg l-1
Fish Acute 96 hour LC50 0.018 mg l-1
Honeybees Acute 48 hour LD50 0.16 μg bee-1
Mammals Acute oral LD50 1178 mg kg-1
Mammals Short term dietary NOEL 34.4 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 0.0004 mg l-1
Bio-concentration factor CT50 0.69 days
Bio-concentration factor BCF 103

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 5672(44,88,152,512) Details
serum cholinesterase 1632(11,25,48,217) Details
lysyl hydroxylase 438(5,6,6,8) Details
cytochrome P450 (protein family or complex) 421(4,6,8,31) Details
glutathione reductase 311(3,4,10,11) Details
SRBC 283(3,4,4,13) Details
cathepsin D 274(3,4,4,4) Details
caspase (protein family or complex) 225(2,4,4,5) Details
IgE 170(2,2,3,5) Details
glutathione S transferase 343(1,6,18,53) Details
glucokinase 112(1,2,2,2) Details
ATPase 100(1,1,3,10) Details
immunoglobulin (protein family or complex) 84(1,1,1,4) Details
INAP 84(1,1,1,4) Details
CYP1A2 82(1,1,1,2) Details
E cadherin 82(1,1,1,2) Details
beta catenin 82(1,1,1,2) Details
ceruloplasmin 81(1,1,1,1) Details
polymerases 81(1,1,1,1) Details
interleukin 4 81(1,1,1,1) Details
interleukin 1 81(1,1,1,1) Details
lysyl oxidase 81(1,1,1,1) Details
arginase 81(1,1,1,1) Details
caspase 3 81(1,1,1,1) Details
HK1 81(1,1,1,1) Details
alkaline phosphatase 107(0,3,4,12) Details
HSP27 75(0,2,4,5) Details
Paraoxonase 71(0,2,2,11) Details
superoxide dismutase 94(0,1,10,19) Details
catalase 83(0,1,8,18) Details
albumin 50(0,1,1,20) Details
acid phosphatase 48(0,1,2,13) Details
beta hexosaminidase 46(0,1,3,6) Details
transferase 42(0,1,2,7) Details
glutathione transferase 41(0,1,2,6) Details
sodium channel (protein family or complex) 40(0,1,2,5) Details
lactate dehydrogenase (protein family or complex) 37(0,1,1,7) Details
CYP3A 37(0,1,1,7) Details
calmodulin 35(0,1,1,5) Details
cytochrome P450 monooxygenase 35(0,1,1,5) Details
CYP2D6 33(0,1,1,3) Details
estrogen receptor alpha 33(0,1,1,3) Details
CYP1A1 33(0,1,1,3) Details
CYP2C9 32(0,1,1,2) Details
phosphodiesterase 32(0,1,1,2) Details
caspase 8 31(0,1,1,1) Details
glutamine synthetase 31(0,1,1,1) Details
tumor necrosis factor 31(0,1,1,1) Details
CYP2C8 31(0,1,1,1) Details
HSP60 31(0,1,1,1) Details
PCNA 31(0,1,1,1) Details
interferon (protein family or complex) 31(0,1,1,1) Details
intestinal alkaline phosphatase 31(0,1,1,1) Details
caspase 9 31(0,1,1,1) Details
glutaminase 31(0,1,1,1) Details
BP75 31(0,1,1,1) Details
CYP2B6 31(0,1,1,1) Details
ribosomal protein S5 31(0,1,1,1) Details
muscles 37(0,0,4,17) Details
epoxide hydrolase 20(0,0,3,5) Details
glucose 6 phosphate dehydrogenase 19(0,0,2,9) Details
casein 19(0,0,3,4) Details
metallothionein (protein family or complex) 18(0,0,3,3) Details
C18 17(0,0,1,12) Details
glycogen phosphorylase 16(0,0,2,6) Details
Ha ras 15(0,0,2,5) Details
ER1 12(0,0,2,2) Details
liver carboxylesterase 12(0,0,1,7) Details
HC5 11(0,0,1,6) Details
Glutamate pyruvate transaminase 11(0,0,1,6) Details
RL1 11(0,0,1,6) Details
A14 10(0,0,1,5) Details
beta glucuronidase 10(0,0,1,5) Details
glutamyl transpeptidase 9(0,0,1,4) Details
cardiac troponin I 9(0,0,0,9) Details
prothrombin 9(0,0,1,4) Details
ASAT 8(0,0,1,3) Details
aryl hydrocarbon hydroxylase 8(0,0,1,3) Details
glucose 6 phosphatase 8(0,0,1,3) Details
hexokinase 8(0,0,1,3) Details
per 1 7(0,0,1,2) Details
brains 7(0,0,1,2) Details
phosphoenolpyruvate carboxykinase 7(0,0,1,2) Details
esterase B3 7(0,0,1,2) Details
PEPCK 7(0,0,1,2) Details
protein as 6(0,0,1,1) Details
cream 1 6(0,0,1,1) Details
DEF6 6(0,0,1,1) Details
at protein 6(0,0,1,1) Details
glutathione S alkyltransferase 6(0,0,1,1) Details
MCM2 6(0,0,1,1) Details
Anas 6(0,0,1,1) Details
corticotropin releasing hormone 6(0,0,1,1) Details
ppt 1 6(0,0,1,1) Details
ACh 2 6(0,0,1,1) Details
and 1 protein 6(0,0,1,1) Details
follicle stimulating hormone (protein family or complex) 6(0,0,1,1) Details
DVL1 6(0,0,1,1) Details
neurotoxic esterase 6(0,0,0,6) Details
brain 2 6(0,0,1,1) Details
CF 1 (protein family or complex) 6(0,0,1,1) Details
myoglobin 6(0,0,0,6) Details
TP53 6(0,0,1,1) Details
glucose 6 phosphatases (protein family or complex) 6(0,0,1,1) Details
progestins (protein family or complex) 6(0,0,1,1) Details
glycophorin A 6(0,0,1,1) Details
plasminogen 4(0,0,0,4) Details
interleukin 2 4(0,0,0,4) Details
hemoglobin (protein family or complex) 4(0,0,0,4) Details
ace 1 4(0,0,0,4) Details
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