paraquat

Identification (Source:EPA,EU)

ID 1084
Name paraquat
CAS 4685-14-7
IUPAC 1,1′-dimethyl-4,4′-bipyridinium
Inchi InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
CIPAC 56
EPA Code
Formula C12H14N2
SMILES c2cc(c1cc[n+](cc1)C)cc[n+]2C
Status Not Approved

Classification

Mode of Action Broad-spectrum, non-residual activity with contact and some desiccant action. Photosystem I (electron transport) inhibitor.
Pesticide Type Herbicide
Chemical Group Bipyridylium
Classification quaternary ammonium herbicides

Properties (Source:PubChem)

Molecular Weight 186.25
Physical State Colourless to pale yellow crystalline solid
AlogP 2.557
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 199.38
Polar Surface Area 7.76

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 0.00023 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.12 mg l-1
Aquatic invertebrates Acute 48 hour EC50 4.4 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.037 mg l-1
Birds Short term dietary LC50/LD50 698 mg/kg feed
Birds Acute LD50 35 mg kg-1
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Acute 96 hour LC50 19 mg l-1
Honeybees Acute 48 hour LD50 > 9.06 μg bee-1
Mammals Acute oral LD50 110 mg kg-1
Mammals Short term dietary NOEL > 100 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment > 100 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.367 mg kg-1
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
catalase 1313(7,17,59,243) Details
c jun 437(5,5,8,22) Details
superoxide dismutase 1359(4,17,67,399) Details
Ang II 416(4,6,10,16) Details
complex is 492(3,10,12,32) Details
alpha synuclein 565(3,7,31,85) Details
xanthine oxidase 413(3,7,14,18) Details
caspase 3 381(3,7,7,21) Details
Acetylcholinesterase 308(3,4,7,23) Details
butyrylcholinesterase 288(3,4,5,13) Details
albumin 266(3,3,5,16) Details
HSP47 246(3,3,3,6) Details
c Jun N terminal kinase 1 287(2,6,6,7) Details
Bcl xL 292(2,5,7,32) Details
chymase 285(2,5,9,15) Details
SOD1 345(2,4,10,95) Details
aconitase 276(2,4,7,41) Details
c Jun N terminal kinase (protein family or complex) 231(2,4,4,11) Details
apoptosis signal regulating kinase 1 228(2,4,4,8) Details
thioredoxin 251(2,3,6,46) Details
hemoglobin (protein family or complex) 203(2,3,3,13) Details
NADPH cytochrome P450 reductase 202(2,3,3,12) Details
IRE1 162(2,2,2,2) Details
neutral amino acid transporter 162(2,2,2,2) Details
matrix metalloproteinase 2 162(2,2,2,2) Details
extracellular signal regulated kinase 1 276(1,7,8,11) Details
cytochrome c 231(1,5,6,26) Details
DJ 1 262(1,4,10,62) Details
cellular glutathione peroxidase 253(1,4,12,43) Details
tyrosine hydroxylase 218(1,3,12,33) Details
dopamine transporter 157(1,3,4,12) Details
thioredoxin reductase 176(1,2,10,26) Details
connective tissue growth factor 147(1,2,5,22) Details
protein is 136(1,2,4,16) Details
MAPK (protein family or complex) 134(1,2,3,19) Details
caspases (protein family or complex) 131(1,2,3,16) Details
p66shc 126(1,2,3,11) Details
NMDA receptor (protein family or complex) 122(1,2,3,7) Details
protein kinase B 120(1,2,3,5) Details
p67phox 112(1,2,2,2) Details
glutathione S transferase 137(1,1,5,37) Details
SP A 108(1,1,4,13) Details
SP D 104(1,1,2,19) Details
AP 1 (protein family or complex) 103(1,1,2,18) Details
PINK1 101(1,1,1,21) Details
calcineurin (protein family or complex) 101(1,1,1,21) Details
peroxiredoxin 6 100(1,1,2,15) Details
glyceraldehyde 3 phosphate dehydrogenase 98(1,1,2,13) Details
P glycoprotein 94(1,1,2,9) Details
interleukin 8 91(1,1,1,11) Details
insulin like growth factor binding protein 1 88(1,1,2,3) Details
c Myc 88(1,1,2,3) Details
Hsp70 87(1,1,1,7) Details
Iron regulatory protein 1 87(1,1,1,7) Details
Yb 1 86(1,1,1,6) Details
cat 1 85(1,1,1,5) Details
SP B 85(1,1,1,5) Details
p65 84(1,1,1,4) Details
MT 1 84(1,1,1,4) Details
aryl hydrocarbon receptor 83(1,1,1,3) Details
GADD45 83(1,1,1,3) Details
protoporphyrinogen oxidase 83(1,1,1,3) Details
LKB1 82(1,1,1,2) Details
cyclooxygenase 2 82(1,1,1,2) Details
insulin like growth factor I 82(1,1,1,2) Details
phosphoenolpyruvate carboxylase 82(1,1,1,2) Details
phosphatidylinositol 3 kinase (protein family or complex) 82(1,1,1,2) Details
Glycogen Synthase Kinase 3beta 82(1,1,1,2) Details
phosphoenolpyruvate carboxykinase 82(1,1,1,2) Details
Cl 2 82(1,1,1,2) Details
Nerve growth factor 82(1,1,1,2) Details
G proteins 81(1,1,1,1) Details
Bcl w 81(1,1,1,1) Details
CB 2 81(1,1,1,1) Details
glutamic acid decarboxylase 81(1,1,1,1) Details
MDM2 81(1,1,1,1) Details
Hsp 27 81(1,1,1,1) Details
EDEM 81(1,1,1,1) Details
metalloproteinase 93(0,3,3,3) Details
heme oxygenase 1 149(0,2,13,34) Details
bcl 2 92(0,2,4,22) Details
transferase 86(0,2,5,11) Details
ICAM 1 73(0,2,3,8) Details
growth hormone receptor 69(0,2,3,4) Details
ER alpha 64(0,2,2,4) Details
transforming growth factor beta 1 63(0,2,2,3) Details
NADPH oxidase 1 62(0,2,2,2) Details
lactate dehydrogenase (protein family or complex) 82(0,1,8,17) Details
ferritin (protein family or complex) 80(0,1,4,35) Details
glucose 6 phosphate dehydrogenase 71(0,1,4,26) Details
TIMP 1 63(0,1,5,13) Details
tumor necrosis factor alpha 56(0,1,3,16) Details
glutaredoxin 46(0,1,1,16) Details
interleukin 1 beta 46(0,1,2,11) Details
CYP2E1 46(0,1,3,6) Details
uncoupling protein 2 45(0,1,2,10) Details
GSTA4 45(0,1,3,5) Details
RNase 43(0,1,2,8) Details
diaphorase 43(0,1,1,13) Details
p38 41(0,1,1,11) Details
CC16 41(0,1,1,11) Details
GSTO 1 41(0,1,1,11) Details
quinone reductase 40(0,1,1,10) Details
IL 6 39(0,1,1,9) Details
TPO1 38(0,1,1,8) Details
CTRL 38(0,1,1,8) Details
ubiquitin 38(0,1,1,8) Details
XRCC1 38(0,1,1,8) Details
IL 10 38(0,1,1,8) Details
PK1 37(0,1,1,7) Details
BAP1 37(0,1,1,7) Details
Prohibitin 37(0,1,1,7) Details
cytoplasmic protein 36(0,1,1,6) Details
BAP2 36(0,1,1,6) Details
Organic cation transporters 36(0,1,1,6) Details
succinate dehydrogenase cytochrome b 35(0,1,1,5) Details
PF6 34(0,1,1,4) Details
Fyn 34(0,1,1,4) Details
mammalian target of rapamycin 34(0,1,1,4) Details
c Cbl 34(0,1,1,4) Details
PP2A 33(0,1,1,3) Details
pyruvate dehydrogenase (protein family or complex) 33(0,1,1,3) Details
GRP78 33(0,1,1,3) Details
SDHD 33(0,1,1,3) Details
interleukin (protein family or complex) 33(0,1,1,3) Details
PP1 33(0,1,1,3) Details
glucosylceramide synthase 32(0,1,1,2) Details
smooth muscle actin 32(0,1,1,2) Details
MP2 32(0,1,1,2) Details
PAR2 32(0,1,1,2) Details
mitogen activated protein kinase kinase 1 31(0,1,1,1) Details
caspase 9 31(0,1,1,1) Details
proenkephalin 31(0,1,1,1) Details
surfactant protein A 31(0,1,1,1) Details
chitinases 31(0,1,1,1) Details
amino acid transporter 31(0,1,1,1) Details
CHOP 31(0,1,1,1) Details
MPE 31(0,1,1,1) Details
protein kinase C delta 31(0,1,1,1) Details
CFTR 31(0,1,1,1) Details
PTEN 31(0,1,1,1) Details
glutathione reductase 87(0,0,9,42) Details
metallothionein (protein family or complex) 51(0,0,3,36) Details
heat shock protein 60 25(0,0,4,5) Details
Apolipoprotein D 25(0,0,1,20) Details
LRRK2 25(0,0,1,20) Details
ATPase 23(0,0,1,18) Details
peptide methionine sulfoxide reductases 20(0,0,1,15) Details
A10 20(0,0,3,5) Details
placenta growth factor 20(0,0,3,5) Details
gastrointestinal glutathione peroxidase 19(0,0,1,14) Details
transketolase 19(0,0,2,9) Details
prion protein 19(0,0,3,4) Details
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