Drug Information

Drug General Information
Drug ID
D0U2GX
Former ID
DNC009580
Drug Name
4-(4-Decyloxy-phenyl)-1,1,1-trifluoro-butan-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529843]
Structure
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2D MOL

3D MOL
Formula
C20H29F3O2
Canonical SMILES
CCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)C(F)(F)F
InChI
1S/C20H29F3O2/c1-2-3-4-5-6-7-8-9-16-25-18-13-10-17(11-14-18)12-15-19(24)20(21,22)23/h10-11,13-14H,2-9,12,15-16H2,1H3
InChIKey
DJDSHOVBFZKIEK-UHFFFAOYSA-N
PubChem Compound ID
25059818
Target and Pathway
Target(s) Cytosolic phospholipase A2 Target Info Inhibitor [529843]
BioCyc Pathway Phospholipases
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 cancer
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 ST
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 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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