ISOFLUROPHATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 12UHW9R67N

Structure
InChI Key MUCZHBLJLSDCSD-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 35.53
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acetylcholinesterase inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 120 13000 6000 -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S10 family
- 10000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 55-91-4
ChEBI 17941
ChEMBL CHEMBL1025
DrugBank DB00677
DrugCentral 1494
EPA CompTox DTXSID1040667
FDA SRS 12UHW9R67N
Human Metabolome Database HMDB0014815
KEGG C00202
PharmGKB PA164748933
PubChem 5936
SureChEMBL SCHEMBL63841
ZINC ZINC000008214587
CONTENTS