Drug General Information
Drug ID
D0O8DZ
Former ID
DNC007326
Drug Name
3-[6-(benzylmethylamino)hexyloxy]xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528456]
Structure
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2D MOL

3D MOL

Formula
C27H29NO3
Canonical SMILES
CN(CCCCCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4
InChI
1S/C27H29NO3/c1-28(20-21-11-5-4-6-12-21)17-9-2-3-10-18-30-22-15-16-24-26(19-22)31-25-14-8-7-13-23(25)27(24)29/h4-8,11-16,19H,2-3,9-10,17-18,20H2,1H3
InChIKey
NKJXMWCNCBVIAA-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [528456]
Cholinesterase Target Info Inhibitor [528456]
KEGG Pathway Glycerophospholipid metabolism
Cholinergic synapse
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer PathwayWP229:Irinotecan Pathway
References
Ref 528456Bioorg Med Chem. 2007 Jan 1;15(1):575-85. Epub 2006 Sep 27.Cholinesterase inhibitors: SAR and enzyme inhibitory activity of 3-[omega-(benzylmethylamino)alkoxy]xanthen-9-ones.
Ref 528456Bioorg Med Chem. 2007 Jan 1;15(1):575-85. Epub 2006 Sep 27.Cholinesterase inhibitors: SAR and enzyme inhibitory activity of 3-[omega-(benzylmethylamino)alkoxy]xanthen-9-ones.

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