Drug General Information
Drug ID
D0A3QB
Former ID
DNC005192
Drug Name
Polybrominated diphenyl ether derivative
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527145]
Structure
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2D MOL

3D MOL

Formula
C34H26Br4N4O8
Canonical SMILES
C1CNC(=O)C(=NO)CC2=CC(=C(C=C2)OC3=C(C(=CC(=C3)CC(=NO)C(<br />=O)NC=CC4=CC(=C(C=C4)OC5=C(C(=CC1=C5)Br)O)Br)Br)O)Br
InChI
1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)/b7-5+,41-25+,42-26+
InChIKey
ZDBNBLMYAGHTJD-HIHPLZGUSA-N
PubChem Compound ID
Target and Pathway
Target(s) Arachidonate 12-lipoxygenase, 12S-type Target Info Inhibitor [527145]
Arachidonate 15-lipoxygenase Target Info Inhibitor [527145]
BioCyc Pathway Lipoxin biosynthesisPWY66-397:Resolvin D biosynthesis
Lipoxin biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Inflammatory mediator regulation of TRP channelshsa00590:Arachidonic acid metabolism
Linoleic acid metabolism
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathwayP00031:Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database IL4-mediated signaling events
PathWhiz Pathway Arachidonic Acid MetabolismPW000044:Arachidonic Acid Metabolism
WikiPathways Arachidonic acid metabolism
Eicosanoid SynthesisWP2650:Arachidonic acid metabolism
Eicosanoid Synthesis
References
Ref 527145J Med Chem. 2004 Jul 29;47(16):4060-5.Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase.
Ref 527145J Med Chem. 2004 Jul 29;47(16):4060-5.Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase.

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