Drug Information

Drug General Information
Drug ID
D02VYI
Former ID
DNC014116
Drug Name
Dibutyl 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
C16H24F3O4P
Canonical SMILES
CCCCOP(=O)(OCCCC)OC(C1=CC=CC=C1)C(F)(F)F
InChI
1S/C16H24F3O4P/c1-3-5-12-21-24(20,22-13-6-4-2)23-15(16(17,18)19)14-10-8-7-9-11-14/h7-11,15H,3-6,12-13H2,1-2H3
InChIKey
BREZEIOVGIZIOU-UHFFFAOYSA-N
PubChem Compound ID
14026658
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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