niclosamide

Identification (Source:EPA,EU)

ID 1671
Name niclosamide
CAS 50-65-7
IUPAC 2′,5-dichloro-4′-nitrosalicylanilide
Inchi InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
CIPAC 599
EPA Code
Formula C13H8Cl2N2O4
SMILES c1(C(Nc2c(cc([N+](=O)[O-])cc2)Cl)=O)c(ccc(c1)Cl)O
Status Not Available

Classification

Mode of Action Respiratory & stomach action. Acts by uncoupling oxidative phosphorylation in the tapeworm
Pesticide Type Fungicide, Molluscide, Nematicide, Veterinary treatment
Chemical Group Chloronitrophenol
Classification Molluscicides

Properties (Source:PubChem)

Molecular Weight 327.12
Physical State Yellow-grey coloured crystalline solid
AlogP 3.595
H-Bond Donor 2
H-Bond Acceptor 4
Surface Area 290.52
Polar Surface Area 95.15

Structure



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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 5.0 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.2 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Fish Acute 96 hour LC50 0.34 mg l-1
Mammals Acute oral LD50 > 5000 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 1.6 mg l-1
Bio-concentration factor BCF 250
Bio-concentration factor CT50 ND days

Related targets

Target Name RScore (About this table)
SARS 181(2,2,3,16) Details
CYP2C9 166(2,2,2,6) Details
IkappaBalpha 82(1,1,1,2) Details
CBF1 82(1,1,1,2) Details
IkappaB kinase 81(1,1,1,1) Details
TAK1 81(1,1,1,1) Details
beta catenin 81(1,1,1,1) Details
transferrin 81(1,1,1,1) Details
CYP1A2 35(0,1,1,5) Details
beta 2 adrenergic receptor 31(0,1,1,1) Details
Dishevelled 2 31(0,1,1,1) Details
demethylase 31(0,1,1,1) Details
muscles 19(0,0,3,4) Details
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