Drug General Information
Drug ID
D01EZC
Former ID
DNC007328
Drug Name
3-[4-(benzylmethylamino)butoxy]xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528456]
Structure
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2D MOL

3D MOL

Formula
C25H25NO3
Canonical SMILES
CN(CCCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4
InChI
1S/C25H25NO3/c1-26(18-19-9-3-2-4-10-19)15-7-8-16-28-20-13-14-22-24(17-20)29-23-12-6-5-11-21(23)25(22)27/h2-6,9-14,17H,7-8,15-16,18H2,1H3
InChIKey
VUBALVZUDJIWHQ-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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