MALATHION


Trade Names	MALATHION OVIDE
Synonyms	8059HC Cythion Derbac-m ENT 17,034 ENT-17034 Malathion NSC-6524 OVIDE Organoderm Ovide Prioderm Quellada-m Suleo-m
Status
Molecule Category	UNKNOWN
ATC	P03AX03
UNII	U5N7SU872W
EPA CompTox	DTXSID4020791


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

Structure


InChI Key	JXSJBGJIGXNWCI-UHFFFAOYSA-N
Smiles	CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
InChI	InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H19O6PS2
Molecular Weight	330.36
AlogP	2.12
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	9.0
Polar Surface Area	71.06
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	19.0

Bioactivity

Mechanism of Action	Action	Reference
Acetylcholinesterase inhibitor	INHIBITOR	Wikipedia Wikipedia FDA

Assay Description	Organism	Bioactivity
Toxicity against Bionectria ochroleuca assessed as inhibition of conidial germination at 0.25 to 1.50 mg/ml measured every 24 hr intervals over 192 hr	Bionectria ochroleuca	10.0 %
Toxicity against Bionectria ochroleuca I61 assessed as inhibition of conidial germination at 0.25 to 1.50 mg/ml measured every 24 hr intervals over 192 hr	Bionectria ochroleuca	12.7 %
Toxicity against Bionectria ochroleuca I62 assessed as inhibition of conidial germination at 0.25 to 1.50 mg/ml measured every 24 hr intervals over 192 hr	Bionectria ochroleuca	14.9 %
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr	Cheumatopsyche	0.00181 ug.mL-1
Insecticidal activity against Daphnia magna after 48 hr	Daphnia magna	0.001 ug.mL-1

Cross References

Resources	Reference
ChEBI	141474
ChEMBL	CHEMBL1200468
DrugBank	DB00772
DrugCentral	1626
FDA SRS	U5N7SU872W
Human Metabolome Database	HMDB0014910
KEGG	C07497
PharmGKB	PA164748092
PubChem	4004
SureChEMBL	SCHEMBL27358
ZINC	ZINC01530800

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).