thiabendazole

Identification (Source:EPA,EU)

ID 500
Name thiabendazole
CAS 148-79-8
IUPAC
Inchi InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
CIPAC 323
EPA Code 060101
Formula C10H7N3S
SMILES n2c1c(cccc1)nc2c3ncsc3
Status Approved

Classification

Mode of Action Systemic with curative and protective action. Acts by compromising the cytoskeleton through a selective interaction with 脽-tubulin
Pesticide Type Fungicide
Chemical Group Benzimidazole
Classification benzimidazole fungicides
thiazole fungicides

Properties (Source:PubChem)

Molecular Weight 201.25
Physical State Colourless to white powder
AlogP 2.154
H-Bond Donor 1
H-Bond Acceptor 2
Surface Area 184.06
Polar Surface Area 69.81

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 Chronic 96 hour NOEC, growth 3.2 mg l-1
Algae Acute 72 hour EC50, growth 9.0 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.34 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.81 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.042 mg l-1
Birds Acute LD50 > 2250 mg kg-1
Birds Short term dietary LC50/LD50 > 5620 mg/kg feed
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 4.2 mg kg-1
Fish Acute 96 hour LC50 0.55 mg l-1
Fish Chronic 21 day NOEC 0.012 mg l-1
Honeybees Acute 48 hour LD50 50 μg bee-1
Mammals Acute oral LD50 3100 mg kg-1
Mammals Short term dietary NOEL > 10 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 2.0 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 3.0 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 96.5

Related targets

Target Name RScore (About this table)
CYP1A2 801(8,12,12,41) Details
cytochrome P450 (protein family or complex) 330(3,5,7,20) Details
cytochrome P450 1A1 282(2,4,9,37) Details
carbonic anhydrase 195(2,3,3,5) Details
aryl hydrocarbon receptor 148(1,3,3,8) Details
superoxide dismutase 97(1,1,2,12) Details
alpha tubulin 95(1,1,2,10) Details
glutathione S transferase 85(1,1,1,5) Details
methionine aminopeptidase 83(1,1,1,3) Details
THBD 82(1,1,1,2) Details
c fos 81(1,1,1,1) Details
carbonic anhydrases (protein family or complex) 81(1,1,1,1) Details
succinate dehydrogenase (protein family or complex) 71(0,2,3,6) Details
IgE 83(0,1,4,38) Details
gamma tubulin complex (protein family or complex) 55(0,1,2,20) Details
cyclin 41(0,1,2,6) Details
GF1 37(0,1,2,2) Details
Acetylcholinesterase 37(0,1,1,7) Details
malate dehydrogenase 36(0,1,1,6) Details
TRF4 36(0,1,1,6) Details
NPS1 35(0,1,1,5) Details
Microsomal monooxygenase 33(0,1,1,3) Details
CS2 33(0,1,1,3) Details
CAPS 32(0,1,1,2) Details
proton pump 32(0,1,1,2) Details
GADD153 31(0,1,1,1) Details
GRP78 31(0,1,1,1) Details
acetylcholine receptors (protein family or complex) 31(0,1,1,1) Details
thromboxane synthase 31(0,1,1,1) Details
PF4 26(0,0,4,6) Details
C18 23(0,0,2,13) Details
arrestin 17(0,0,1,12) Details
transducin 15(0,0,1,10) Details
MSRB 15(0,0,2,5) Details
P glycoproteins 14(0,0,0,14) Details
interferon (protein family or complex) 13(0,0,2,3) Details
CBF1 11(0,0,1,6) Details
complex is 10(0,0,1,5) Details
Dicer 10(0,0,1,5) Details
interleukin 2 9(0,0,1,4) Details
kinesin 9(0,0,0,9) Details
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