DDT

Identification (Source:EPA,EU)

ID 117
Name DDT
CAS 50-29-3
IUPAC 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane
Inchi InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
CIPAC 3
EPA Code 029201
Formula C14H9Cl5
SMILES Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
Status Not Approved

Classification

Mode of Action Non-systemic stomach and contact action. Sodium channel modulator.
Pesticide Type Insecticide
Chemical Group Organochlorine
Classification organochlorine acaricides
bridged diphenyl acaricides
organochlorine insecticides

Properties (Source:PubChem)

Molecular Weight 354.49
Physical State White crystalline powder
AlogP 6.331
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 300.29
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 0.005 mg l-1
Birds Acute LD50 2240 mg kg-1
Fish Acute 96 hour LC50 7 mg l-1
Honeybees Acute 48 hour LD50 5 μg bee-1
Mammals Acute oral LD50 113 mg kg-1
Mammals Short term dietary NOEL 1 ppm diet
Sediment dwelling organisms Acute 96 hour LC50 2.7 mg l-1
Bio-concentration factor BCF 3173
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
progesterone receptor 85(1,1,1,5) Details
thymidylate synthases 82(1,1,1,2) Details
Cl 2 81(1,1,1,1) Details
IL 1beta 33(0,1,1,3) Details
C18 32(0,1,1,2) Details
estrogen receptors 106(0,0,0,106) Details
sodium channel (protein family or complex) 45(0,0,1,40) Details
glutathione S transferase 42(0,0,0,42) Details
cytochrome P450 (protein family or complex) 38(0,0,0,38) Details
Acetylcholinesterase 34(0,0,0,34) Details
Myosin 32(0,0,0,32) Details
muscles 26(0,0,0,26) Details
CYP3A4 23(0,0,0,23) Details
CYP1A1 20(0,0,0,20) Details
PCNA 18(0,0,0,18) Details
SPMD 17(0,0,0,17) Details
MDM2 15(0,0,0,15) Details
androgen receptors 15(0,0,0,15) Details
p38 14(0,0,0,14) Details
pg m 14(0,0,0,14) Details
glutathione transferases 13(0,0,0,13) Details
catalase 13(0,0,0,13) Details
AhR 12(0,0,0,12) Details
ERbeta 11(0,0,0,11) Details
thyroid stimulating hormone (protein family or complex) 11(0,0,0,11) Details
ATPase 11(0,0,0,11) Details
AP 1 (protein family or complex) 10(0,0,0,10) Details
pc 1 10(0,0,0,10) Details
GSTT1 10(0,0,0,10) Details
dynorphin 9(0,0,0,9) Details
Avian 9(0,0,0,9) Details
WSTF 9(0,0,0,9) Details
pregnane X receptor 9(0,0,0,9) Details
activator protein 1 8(0,0,0,8) Details
mitogen activated protein kinase (protein family or complex) 8(0,0,0,8) Details
chitinase 8(0,0,0,8) Details
caspase 3 8(0,0,0,8) Details
NP I 8(0,0,0,8) Details
KRAS 8(0,0,0,8) Details
sex hormone binding globulin 8(0,0,0,8) Details
SERS 7(0,0,1,2) Details
GSTP1 7(0,0,0,7) Details
RAPTOR 6(0,0,0,6) Details
acetylcholine receptor (protein family or complex) 6(0,0,0,6) Details
ace 1 6(0,0,0,6) Details
follicle stimulating hormone (protein family or complex) 6(0,0,0,6) Details
constitutive androstane receptor 6(0,0,0,6) Details
HEPT 6(0,0,0,6) Details
vascular endothelial growth factor 6(0,0,0,6) Details
PFAS 6(0,0,0,6) Details
Connexin 43 5(0,0,0,5) Details
transferase 5(0,0,0,5) Details
P glycoprotein 5(0,0,0,5) Details
beta is 5(0,0,0,5) Details
hormone receptor 5(0,0,0,5) Details
NF kappa B 5(0,0,0,5) Details
thyroperoxidase 5(0,0,0,5) Details
TRbeta 5(0,0,0,5) Details
EPOX 5(0,0,0,5) Details
homeobox 5(0,0,0,5) Details
CYP26 5(0,0,0,5) Details
POLL 5(0,0,0,5) Details
CECR2 5(0,0,0,5) Details
TSHbeta 5(0,0,0,5) Details
GPR30 5(0,0,0,5) Details
RITA 5(0,0,0,5) Details
RNF8 5(0,0,0,5) Details
MMS2 5(0,0,0,5) Details
superoxide dismutase 4(0,0,0,4) Details
DRD4 4(0,0,0,4) Details
ERK1 4(0,0,0,4) Details
protein kinase C (protein family or complex) 4(0,0,0,4) Details
cholinesterase 4(0,0,0,4) Details
casein 4(0,0,0,4) Details
CD4 4(0,0,0,4) Details
adenosine A1 receptor 4(0,0,0,4) Details
IL 6 4(0,0,0,4) Details
CD8 4(0,0,0,4) Details
PF6 4(0,0,0,4) Details
F12 4(0,0,0,4) Details
N cadherin 4(0,0,0,4) Details
phospholamban 4(0,0,0,4) Details
P100 4(0,0,0,4) Details
UBC13 4(0,0,0,4) Details
DRD2 4(0,0,0,4) Details
zonula occludens 1 4(0,0,0,4) Details
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