MEFENOXAM


UNII	F1Q54ONN4H
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	ZQEIXNIJLIKNTD-GFCCVEGCSA-N
Smiles	COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C
InChI	InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H21NO4
Molecular Weight	279.33
AlogP	2.06
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	55.84
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	20.0

Assay Description	Organism	Bioactivity
Fungicidal activity against Macrophomina phaseolina in non-grafted Melon plants cv. 6405 plots infested with Macrophomina phaseolina assessed as disease incidence exposed to compound at 40 ml/1000 m2 of commercial product applied as soil drench to crown zone three times during growing season 21 to 49 days after transplanting (Rvb = 23%)	Macrophomina phaseolina	10.0 %
Fungicidal activity against Macrophomina phaseolina in non-grafted Melon plants cv. 6405 plots infested with Macrophomina phaseolina assessed as disease incidence exposed to compound at 40 ml/1000 m2 of commercial product applied as soil drench to crown zone 2 times during growing season 44 to 56 days after seeding (Rvb = 45%)	Macrophomina phaseolina	50.0 %
Fungicidal activity against Macrophomina phaseolina in non-grafted Melon plants cv. 6405 plots assessed as disease incidence exposed to compound at 300 ml/1000 m2 of commercial product applied as soil drench three times during growing season (Rvb = 65%)	Macrophomina phaseolina	10.0 %
Fungicidal activity against Macrophomina phaseolina assessed as mycelial growth inhibition incubated at 27 degC for 5 days	Macrophomina phaseolina	10.0 mg.kg-1

Cross References

Resources	Reference
ChEMBL	CHEMBL1905521
FDA SRS	F1Q54ONN4H
PubChem	11150163
SureChEMBL	SCHEMBL22529
ZINC	ZINC01532071

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).