heptachlor

Identification (Source:EPA,EU)

ID 1480
Name heptachlor
CAS 76-44-8
IUPAC 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene
Inchi InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
CIPAC 36
EPA Code 044801
Formula C10H5Cl7
SMILES ClC1(C(Cl)2Cl)C(C=CC3Cl)C3C2(Cl)C(Cl)=C1Cl
Status Not Approved

Classification

Mode of Action Persistent, non-systemic contact and stomach poison with some fumigant action. Is a chloride channel-blocking agent.
Pesticide Type Insecticide
Chemical Group Organochlorine
Classification cyclodiene insecticides

Properties (Source:PubChem)

Molecular Weight 373.32
Physical State White to tan coloured crystals
AlogP 4.24
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 277.55
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
Algae Acute 72 hour EC50, growth 0.027 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.042 mg l-1
Birds Acute LD50 2000 mg kg-1
Fish Acute 96 hour LC50 0.007 mg l-1
Honeybees Acute 48 hour LD50 128.5 μg bee-1
Mammals Acute oral LD50 147 mg kg-1
Mammals Short term dietary NOEL 5 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 7400

Related targets

Target Name RScore (About this table)
dopamine transporter 318(3,5,7,8) Details
ERK1 244(3,3,3,4) Details
U82 236(2,4,6,6) Details
GABA receptor (protein family or complex) 204(2,3,4,9) Details
mitogen activated protein kinase (protein family or complex) 200(2,3,4,5) Details
MC7 217(1,5,7,7) Details
CPP32 125(1,2,4,5) Details
c jun 118(1,2,3,3) Details
ERK2 112(1,2,2,2) Details
cytochrome b5 99(1,1,2,14) Details
MC 2 94(1,1,3,4) Details
bcl 2 87(1,1,2,2) Details
benzodiazepine receptor (protein family or complex) 87(1,1,2,2) Details
serine threonine kinases 82(1,1,1,2) Details
phospholipase C 81(1,1,1,1) Details
TGFbeta 81(1,1,1,1) Details
thrombin 81(1,1,1,1) Details
vesicular monoamine transporter 2 84(0,2,5,9) Details
novel protein 63(0,2,2,3) Details
cytochrome P450 (protein family or complex) 68(0,1,4,23) Details
protein kinase C (protein family or complex) 54(0,1,4,9) Details
Connexin 43 44(0,1,2,9) Details
U83 37(0,1,2,2) Details
ErbB 2 34(0,1,1,4) Details
cytochrome P450 reductase 34(0,1,1,4) Details
cytochrome c 33(0,1,1,3) Details
MEK1 32(0,1,1,2) Details
PC 3 31(0,1,1,1) Details
MEKK 31(0,1,1,1) Details
HEPT 55(0,0,8,15) Details
estrogen receptor 18(0,0,1,13) Details
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Node List

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