TRICHLORFON


Synonyms	BAY-A 9826 BAYER L 1359 BAYER-L-1359 Bilarcil DETF ENT-19,763 Metrifonate Metrifonatum Metriphonate NSC-8923 Trichlorfon Trichlorofon Triclorfon WEC-50
Status
Molecule Category	UNKNOWN
UNII	1MVY4KU98F
EPA CompTox	DTXSID0021389


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

Structure


InChI Key	NFACJZMKEDPNKN-UHFFFAOYSA-N
Smiles	COP(=O)(OC)C(O)C(Cl)(Cl)Cl
InChI	InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C4H8Cl3O4P
Molecular Weight	257.44
AlogP	2.16
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	55.76
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	12.0

Bioactivity

Mechanism of Action	Action	Reference
Acetylcholinesterase 1 inhibitor	INHIBITOR	PubMed

Assay Description	Organism	Bioactivity	Reference
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr	Cheumatopsyche	0.00202 ug.mL-1
Insecticidal activity against Daphnia magna after 48 hr	Daphnia magna	0.00036 ug.mL-1

Cross References

Resources	Reference
ChEBI	6908
ChEMBL	CHEMBL167150
DrugBank	DB11473
DrugCentral	1787
FDA SRS	1MVY4KU98F
KEGG	C07971
SureChEMBL	SCHEMBL15972

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).