DICHLOBENIL

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key YOYAIZYFCNQIRF-UHFFFAOYSA-N
Smiles Clc1cccc(Cl)c1C#N
InChI
InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Cl2N
Molecular Weight 172.01
AlogP 3.04
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 23.79
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 10.0
Assay Description Organism Bioactivity Reference
Hydrophobicity, log P of the compound in octanol-water by shaking-flask method None 2.74
Effect on CesA4 gene expression in Pythium aphanidermatum at 200 uM after 8 hr by qRT-PCR method Pythium aphanidermatum None
Effect on CesA3 gene expression in Pythium aphanidermatum at 200 uM after 8 hr by qRT-PCR method Pythium aphanidermatum None
Effect on CesA1 gene expression in Pythium aphanidermatum at 200 uM after 8 hr by qRT-PCR method Pythium aphanidermatum None
Effect on CesA2 gene expression in Pythium aphanidermatum at 200 uM after 8 hr by qRT-PCR method Pythium aphanidermatum None
Effect on PaChs gene expression in Pythium aphanidermatum at 200 uM after 0.5 to 8 hr by qRT-PCR method Pythium aphanidermatum None
Down-regulation of CesA4 gene expression in Pythium aphanidermatum at 200 uM after 0.5 to 4 hr by qRT-PCR method Pythium aphanidermatum None
Down-regulation of CesA3 gene expression in Pythium aphanidermatum at 200 uM after 0.5 to 4 hr by qRT-PCR method Pythium aphanidermatum None
Down-regulation of CesA2 gene expression in Pythium aphanidermatum at 200 uM after 0.5 to 4 hr by qRT-PCR method Pythium aphanidermatum None
Down-regulation of CesA1 gene expression in Pythium aphanidermatum at 200 uM after 0.5 to 4 hr by qRT-PCR method Pythium aphanidermatum None
Effect on PaChs gene expression in Pythium aphanidermatum at 100 uM after 0.5 to 8 hr by qRT-PCR method Pythium aphanidermatum None
Effect on CesA4 gene expression in Pythium aphanidermatum at 100 uM after 0.5 to 8 hr by qRT-PCR method Pythium aphanidermatum None
Effect on CesA3 gene expression in Pythium aphanidermatum at 100 uM after 0.5 to 8 hr by qRT-PCR method Pythium aphanidermatum None
Inhibition of germ tube elongation of Pythium aphanidermatum synchronised cytospores at 500 uM after 4 hr Pythium aphanidermatum 18.0 %
Inhibition of germ tube elongation of Pythium aphanidermatum synchronised cytospores at >100 uM after 4 hr Pythium aphanidermatum None
Inhibition of zoospores encystment of Pythium aphanidermatum synchronised cytospores at 100 uM after 4 hr Pythium aphanidermatum None
Inhibition of zoospores release of Pythium aphanidermatum synchronised cytospores at 100 uM after 4 hr Pythium aphanidermatum None
Antifungal activity against Saprolegnia monoica assessed as inhibition of mycelial growth at 200 uM after 3 days Saprolegnia monoica 40.0 %
Antifungal activity against Pythium aphanidermatum assessed as inhibition of mycelial growth at 200 uM after 3 days Pythium aphanidermatum 12.0 %

Cross References

Resources Reference
ChEMBL CHEMBL3039332
CONTENTS