HALFENPROX


UNII	L5U3LY0FN8
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 ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	WIFXJBMOTMKRMM-UHFFFAOYSA-N
Smiles	CC(C)(COCc1cccc(Oc2ccccc2)c1)c3ccc(OC(F)(F)Br)cc3
InChI	InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H23BrF2O3
Molecular Weight	477.34
AlogP	8.21
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	9.0
Polar Surface Area	27.69
Molecular species	None
Aromatic Rings	3.0
Heavy Atoms	30.0

Assay Description	Organism	Bioactivity
Insecticidal activity against third-instar larvae of Spodoptera litura infested compound-treated cabbage leaf assessed as mortality after 48 hr in presence of piperonyl butoxide	Spodoptera litura	9.77
Ratio of etofenprox LC50 to compound LC50 for Tetranychus urticae (two-spotted spider mite) infested kidney bean leaf disk	Tetranychus urticae	200.0
Induction of depolarization in Procambarus clarkii (crayfish) giant axons assessed as transient inward sodium currents at -100 to -20 mV holding potential at 2 x 10 '-5 M	Procambarus clarkii	None
Induction of repetitive firing in excised nerve cord of Periplaneta americana (American cockroach) measured up to 32 min	None	6.57
Acaricidal activity against Tetranychus urticae (two-spotted spider mite) infested kidney bean leaf disk assessed as mortality measured after 48 hr	Tetranychus urticae	5.77
Insecticidal activity against Periplaneta americana (American cockroach) assessed as paralysis/mortality compound injected into abdomen after 24 hr	Periplaneta americana	9.67
Insecticidal activity against third-instar larvae of Spodoptera litura infested compound-treated cabbage leaf assessed as mortality after 48 hr	Spodoptera litura	4.83

Cross References

Resources	Reference
ChEMBL	CHEMBL2285857
FDA SRS	L5U3LY0FN8
PubChem	10140464
SureChEMBL	SCHEMBL62803

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).