Drug General Information
Drug ID
D0F4JL
Former ID
DNC007822
Drug Name
NSC-661755
Indication Discovery agent Terminated [545654]
Structure
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2D MOL

3D MOL

Canonical SMILES
CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C(C=C(C=C34)C)<br />OC)O)C5=C(C6=C(C=C(C=C6C(=C5)C7=C8CC(NC(C8=C(C=C7O)O)C)<br />C)C)OC)O.CC(=O)O
InChI
1S/C46H48N2O8.C2H4O2/c1-19-9-25-27(41-31-13-21(3)47-23(5)39(31)33(49)17-35(41)51)15-29(45(53)43(25)37(11-19)55-7)30-16-28(26-10-20(2)12-38(56-8)44(26)46(30)54)42-32-14-22(4)48-24(6)40(32)34(50)18-36(42)52;1-2(3)4/h9-12,15-18,21-24,47-54H,13-14H2,1-8H3;1H3,(H,3,4)/t21-,22-,23-,24-;/m0./s1
InChIKey
IHCBLDDSPLYUGN-JPIABUGISA-N
Target and Pathway
Target(s) Arachidonate 12-lipoxygenase, 12S-type Target Info Inhibitor [529029]
Arachidonate 15-lipoxygenase Target Info Inhibitor [529029]
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 545654Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004041)
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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