aldrin

Identification (Source:EPA,EU)

ID 1472
Name aldrin
CAS 309-00-2
IUPAC
Inchi InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-
CIPAC 27
EPA Code 045101
Formula C12H8Cl6
SMILES Cl\C3=C(/Cl)C4(Cl)C2C(C1/C=C\C2C1)C3(Cl)C4(Cl)Cl
Status Not Approved

Classification

Mode of Action Central nervous system stimulant. GABA-gated chloride channel antagonist. Also stomach and contact toxin
Pesticide Type Insecticide
Chemical Group Cyclodiene
Classification cyclodiene insecticides

Properties (Source:PubChem)

Molecular Weight 364.91
Physical State White to brown crystals
AlogP 4.264
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 270.53
Polar Surface Area 0.0

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 invertebrates Acute 48 hour EC50 0.028 mg l-1
Birds Acute LD50 6.6 mg kg-1
Earthworms Acute 14 day LD50 60 mg kg-1
Fish Acute 96 hour LC50 0.0046 mg l-1
Honeybees Acute 48 hour LD50 0.35 μg bee-1
Mammals Acute oral LD50 39 mg kg-1
Bio-concentration factor BCF 3348
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 1947(14,25,76,242) Details
ATPase 434(4,7,9,14) Details
chloride channel (protein family or complex) 163(2,2,2,3) Details
cytochrome c 175(1,3,7,15) Details
ATPases 135(1,2,5,10) Details
lactate dehydrogenase (protein family or complex) 83(1,1,1,3) Details
progesterone receptors 82(1,1,1,2) Details
GT1 82(1,1,1,2) Details
demethylase 241(0,4,21,36) Details
glutathione S transferase 144(0,2,13,29) Details
epoxide hydrolase 125(0,2,10,25) Details
cytochrome P450 monooxygenases 82(0,2,4,12) Details
Microsomal monooxygenase 63(0,1,4,18) Details
aryl hydrocarbon hydroxylase 59(0,1,5,9) Details
glucagon 43(0,1,3,3) Details
calmodulin 43(0,1,2,8) Details
albumin 40(0,1,2,5) Details
debrisoquine 4 hydroxylase 39(0,1,2,4) Details
cholinesterases 37(0,1,1,7) Details
P 450MP 36(0,1,1,6) Details
brains 34(0,1,1,4) Details
NMDA receptor (protein family or complex) 31(0,1,1,1) Details
MC7 31(0,1,1,1) Details
U82 31(0,1,1,1) Details
chitinase 31(0,1,1,1) Details
Basalin 31(0,1,1,1) Details
transferase 32(0,0,4,12) Details
Lipoxygenase (protein family or complex) 20(0,0,3,5) Details
alkaline phosphatase 19(0,0,3,4) Details
C18 16(0,0,1,11) Details
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