ISOFLUROPHATE

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Search structure


Trade Names	FLOROPRYL
Synonyms	Dyflos Floropryl Fluostigmine Isoflurophate NSC-727370
Status
Molecule Category	Free-form
UNII	12UHW9R67N
EPA CompTox	DTXSID1040667

Structure


InChI Key	MUCZHBLJLSDCSD-UHFFFAOYSA-N
Smiles	CC(C)OP(=O)(F)OC(C)C
InChI	InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H14FO3P
Molecular Weight	184.15
AlogP	2.91
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	35.53
Heavy Atoms	11.0

Pharmacology

Mechanism of Action	Action	Reference
Acetylcholinesterase inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	50-480	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	120	-	-	-
Sus scrofa	-	50	-	-	-
eel	-	480	-	-	-

Target Conservation


Protein: Acetylcholinesterase Description: Acetylcholinesterase Organism : Homo sapiens P22303 ENSG00000087085

Cross References

Resources	Reference
ChEBI	17941
ChEMBL	CHEMBL1025
DrugBank	DB00677
DrugCentral	1494
FDA SRS	12UHW9R67N
Human Metabolome Database	HMDB0014815
KEGG	C00202
PharmGKB	PA164748933
PubChem	5936
SureChEMBL	SCHEMBL63841
ZINC	ZINC000008214587

CONTENTS

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025