FENAMIPHOS


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	PIYZYPUXWGSMDP-UHFFFAOYSA-N
Smiles	CCOP(=O)(O)N(C(C)C)c1ccc(SC)c(C)c1
InChI	InChI=1S/C13H22NO3PS/c1-6-17-18(15,16)14(10(2)3)12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,15,16)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H22NO3PS
Molecular Weight	303.36
AlogP	3.03
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	84.88
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	19.0

Assay Description	Organism	Bioactivity
Increase in marketable fruit yield in Zingiber officinale (ginger) plants at 4 kg/ha applied through fumigation protocol (Rvb = 48.2 ton/ha)	Zingiber officinale	58.3 tons/ha
Increase in medium fruit yield in Zingiber officinale (ginger) plants at 4 kg/ha applied through fumigation protocol (Rvb = 24.6 ton/ha)	Zingiber officinale	29.9 tons/ha
Increase in large fruit yield in Zingiber officinale (ginger) plants at 4 kg/ha applied through fumigation protocol (Rvb = 20.1 ton/ha)	Zingiber officinale	23.3 tons/ha
Increase in extra-large fruit yield in Zingiber officinale (ginger) plants at 4 kg/ha applied through fumigation protocol (Rvb = 3.5 ton/ha)	Zingiber officinale	5.1 tons/ha
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as root galling index at 4 kg/ha measured after 60 days post compound application (Rvb = 5.49 root galling index)	Meloidogyne incognita	4.0
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as number of nematodes per 100 cm3 soil at 4 kg/ha measured after 60 days post compound application (Rvb = 88.2 nematodes in 100 cm3 soil)	Meloidogyne incognita	67.3 /10'2cm3
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as number of nematodes per 100 cm3 soil at 4 kg/ha measured after 40 days post compound application (Rvb = 75.3 nematodes in 100 cm3 soil)	Meloidogyne incognita	53.6 /10'2cm3
Nematicidal activity against Meloidogyne incognita (root-knot nematode) in ginger crop fields assessed as number of nematodes per 100 cm3 soil at 4 kg/ha measured after 20 days post compound application (Rvb = 56.7 nematodes in 100 cm3 soil)	Meloidogyne incognita	41.5 /10'2cm3
Increase in stem diameter of Zingiber officinale (ginger) plants at 4 kg/ha applied through fumigation protocol (Rvb = 11.3 mm)	Zingiber officinale	11.9 mm
Increase in plant height of Zingiber officinale (ginger) plants at 4 kg/ha applied through fumigation protocol (Rvb = 79.6 cm)	Zingiber officinale	81.2 cm

Cross References

Resources	Reference
ChEMBL	CHEMBL450410
PubChem	44586308
SureChEMBL	SCHEMBL7119419

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).