Drug Information

Drug General Information
Drug ID
D0XP0J
Former ID
DNC014114
Drug Name
Dimethyl 2,2,2-trifluoro-1-phenylethyl phosphate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530348]
Formula
C10H12F3O4P
Canonical SMILES
COP(=O)(OC)OC(C1=CC=CC=C1)C(F)(F)F
InChI
1S/C10H12F3O4P/c1-15-18(14,16-2)17-9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey
LEDQZLXLDMICCN-UHFFFAOYSA-N
PubChem Compound ID
11666354
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [530348]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathways
Pathway Interaction Database E2F transcription factor network
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450
References
Ref 530348Bioorg Med Chem Lett. 2009 Oct 1;19(19):5528-30. Epub 2009 Aug 21.Synthesis of organophosphates with fluorine-containing leaving groups as serine esterase inhibitors with potential for Alzheimer disease therapeutics.
Ref 530348Bioorg Med Chem Lett. 2009 Oct 1;19(19):5528-30. Epub 2009 Aug 21.Synthesis of organophosphates with fluorine-containing leaving groups as serine esterase inhibitors with potential for Alzheimer disease therapeutics.