Drug Information

Drug General Information
Drug ID
D0N1CK
Former ID
DNC004654
Drug Name
1,1,1-Trifluoro-8-phenyl-octan-2-one
Synonyms
1,1,1-Trifluoro-8-phenyloctan-2-one
Indication Discovery agent Investigative [529843]
Structure
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2D MOL

3D MOL
Canonical SMILES
C1=CC=C(C=C1)CCCCCCC(=O)C(F)(F)F
InChI
1S/C14H17F3O/c15-14(16,17)13(18)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
InChIKey
LKXJGCHERZYPOU-UHFFFAOYSA-N
Target and Pathway
Target(s) Cytosolic phospholipase A2 Target Info Inhibitor [529843]
Fatty-acid amide hydrolase Target Info Inhibitor [527476]
BioCyc Pathway PhospholipasesPWY6666-1:Anandamide degradation
KEGG Pathway Glycerophospholipid metabolism
Ether lipid metabolism
Arachidonic acid metabolism
Linoleic acid metabolism
alpha-Linolenic acid metabolism
Metabolic pathways
MAPK signaling pathway
Ras signaling pathway
Vascular smooth muscle contraction
VEGF signaling pathway
Platelet activation
Fc epsilon RI signaling pathway
Fc gamma R-mediated phagocytosis
Glutamatergic synapse
Serotonergic synapse
Long-term depression
Inflammatory mediator regulation of TRP channels
GnRH signaling pathway
Ovarian steroidogenesis
Oxytocin signaling pathway
Choline metabolism in cancerhsa04723:Retrograde endocannabinoid signaling
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Angiogenesis
Endothelin signaling pathway
Inflammation mediated by chemokine and cytokine signaling pathway
Oxidative stress response
VEGF signaling pathway
CCKR signaling map STP05728:Anandamide degradation
Pathway Interaction Database Fc-epsilon receptor I signaling in mast cells
Endothelins
PDGFR-beta signaling pathway
Signaling mediated by p38-alpha and p38-beta
PathWhiz Pathway Fc Epsilon Receptor I Signaling in Mast Cells
Reactome Acyl chain remodelling of PC
Acyl chain remodelling of PE
Acyl chain remodelling of PI
ADP signalling through P2Y purinoceptor 1
Platelet sensitization by LDL
WikiPathways Prostaglandin Synthesis and Regulation
p38 MAPK Signaling Pathway
Glycerophospholipid biosynthesis
Arachidonic acid metabolism
PDGF Pathway
Integrated Pancreatic Cancer Pathway
AGE/RAGE pathway
Opioid Signalling
Signal amplification
Platelet homeostasis
References
Ref 529843J Med Chem. 2008 Dec 25;51(24):8027-37.Synthesis of polyfluoro ketones for selective inhibition of human phospholipase A2 enzymes.
Ref 527476J Med Chem. 2005 Mar 24;48(6):1849-56.Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics.
Ref 529843J Med Chem. 2008 Dec 25;51(24):8027-37.Synthesis of polyfluoro ketones for selective inhibition of human phospholipase A2 enzymes.

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