Drug Information

Drug General Information
Drug ID
D01GSO
Former ID
DNC014115
Drug Name
Diethyl 2,2,2-trifluoro-1-phenylethyl phosphate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530348]
Structure
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2D MOL

3D MOL
Formula
C12H16F3O4P
Canonical SMILES
CCOP(=O)(OCC)OC(C1=CC=CC=C1)C(F)(F)F
InChI
1S/C12H16F3O4P/c1-3-17-20(16,18-4-2)19-11(12(13,14)15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey
LLGREQYHEQMYRW-UHFFFAOYSA-N
PubChem Compound ID
14026656
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.

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