TTD | Drug: D0SS4S

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		Download 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	44158013
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 530186	J 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 530186	J 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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Drug Information