CHLORPHRIFOS OXON

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Synonyms
Molecule Category Free-form
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 OTMOUPHCTWPNSL-UHFFFAOYSA-N
Smiles CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11Cl3NO4P
Molecular Weight 334.52
AlogP 3.7
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 67.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 17-29
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Drosophila melanogaster
- - - - 17-29

Cross References

Resources Reference
ChEMBL CHEMBL444970
SureChEMBL SCHEMBL1168184
ZINC ZINC02037153
CONTENTS