Drug General Information
Drug ID	D02DWE
Former ID	DNC002650
Drug Name	3,6,9,12,15-Pentaoxaheptadecane
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[551374]
Structure		Download 2D MOL 3D MOL
Formula	C12H26O5
Canonical SMILES	CCOCCOCCOCCOCCOCC
InChI	1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
InChIKey	HYDWALOBQJFOMS-UHFFFAOYSA-N
CAS Number	CAS 4353-28-0
PubChem Compound ID	78057
PubChem Substance ID	7889676, 8199354, 11109905, 11109906, 26744410, 31311593, 43133635, 46509043, 50003018, 51014214, 81061750, 81065050, 103126749, 103911233, 103911245, 103911247, 104368907, 117555842, 125754755, 128130096, 135036580, 137152336, 142566195, 160965539, 162757572, 176255648, 226570875, 241085071, 249912888
Target and Pathway
Target(s)	Acetylcholinesterase	Target Info	Inhibitor	[551374]
	Kynureninase	Target Info	Inhibitor	[551374]
BioCyc Pathway	Superpathway of tryptophan utilization
	Tryptophan degradation
	L-kynurenine degradation
	Tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde
	NAD de novo biosynthesis
KEGG Pathway	Glycerophospholipid metabolism
	Cholinergic synapsehsa00380:Tryptophan metabolism
	Metabolic pathways
NetPath Pathway	TSLP Signaling Pathway
PANTHER Pathway	Muscarinic acetylcholine receptor 1 and 3 signaling pathway
	Muscarinic acetylcholine receptor 2 and 4 signaling pathway
	Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database	ATF-2 transcription factor network
PathWhiz Pathway	Phospholipid BiosynthesisPW000163:Tryptophan Metabolism
Reactome	Tryptophan catabolism
WikiPathways	Monoamine Transport
	Biogenic Amine Synthesis
	Acetylcholine Synthesis
	Integrated Pancreatic Cancer PathwayWP465:Tryptophan metabolism
	Metabolism of amino acids and derivatives
	NAD Biosynthesis II (from tryptophan)
	Selenium Micronutrient Network
References
Ref 551374	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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