Drug General Information
Drug ID
D0X4BT
Former ID
DNC007824
Drug Name
NSC-172033
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529029]
Structure
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2D MOL

3D MOL

Formula
C26H14Cl8O4
Canonical SMILES
C1=C(C=C(C(=C1Cl)O)Cl)C(C2=CC(=C(C(=C2)Cl)O)Cl)C(C3=CC(<br />=C(C(=C3)Cl)O)Cl)C4=CC(=C(C(=C4)Cl)O)Cl
InChI
1S/C26H14Cl8O4/c27-13-1-9(2-14(28)23(13)35)21(10-3-15(29)24(36)16(30)4-10)22(11-5-17(31)25(37)18(32)6-11)12-7-19(33)26(38)20(34)8-12/h1-8,21-22,35-38H
InChIKey
PGVJRDOIJQMGEF-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Arachidonate 15-lipoxygenase Target Info Inhibitor [529029]
Arachidonate 12-lipoxygenase, 12S-type Target Info Inhibitor [529029]
BioCyc Pathway Resolvin D biosynthesis
Lipoxin biosynthesisPWY66-392:Lipoxin biosynthesis
KEGG Pathway Arachidonic acid metabolism
Linoleic acid metabolism
Metabolic pathways
Serotonergic synapsehsa00590:Arachidonic acid metabolism
Serotonergic synapse
Inflammatory mediator regulation of TRP channels
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 529029Bioorg Med Chem. 2007 Nov 15;15(22):6900-8. Epub 2007 Aug 22.Discovery of platelet-type 12-human lipoxygenase selective inhibitors by high-throughput screening of structurally diverse libraries.
Ref 529029Bioorg Med Chem. 2007 Nov 15;15(22):6900-8. Epub 2007 Aug 22.Discovery of platelet-type 12-human lipoxygenase selective inhibitors by high-throughput screening of structurally diverse libraries.

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