Drug General Information
Drug ID
D0SS4S
Former ID
DNC009728
Drug Name
Methyl 2-(Diallylamino)-1H-indole-3-carboxylate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530186]
Structure
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2D MOL

3D MOL

Formula
C16H18N2O2
Canonical SMILES
COC(=O)C1=C(NC2=CC=CC=C21)N(CC=C)CC=C
InChI
1S/C16H18N2O2/c1-4-10-18(11-5-2)15-14(16(19)20-3)12-8-6-7-9-13(12)17-15/h4-9,17H,1-2,10-11H2,3H3
InChIKey
VOAOXYYRHVDNNJ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) mRNA of human 5-lipoxygenase Target Info Inhibitor [530186]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosis
NetPath Pathway IL4 Signaling Pathway
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient Network
References
Ref 530186J Med Chem. 2009 Jun 11;52(11):3474-83.Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase.
Ref 530186J Med Chem. 2009 Jun 11;52(11):3474-83.Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase.

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