Drug General Information
Drug ID
D0B4DT
Former ID
DNC007324
Drug Name
3-[8-(benzylmethylamino)octyloxy]xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528456]
Structure
Download
2D MOL

3D MOL

Formula
C29H33NO3
Canonical SMILES
CN(CCCCCCCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC=CC=<br />C4
InChI
1S/C29H33NO3/c1-30(22-23-13-7-6-8-14-23)19-11-4-2-3-5-12-20-32-24-17-18-26-28(21-24)33-27-16-10-9-15-25(27)29(26)31/h6-10,13-18,21H,2-5,11-12,19-20,22H2,1H3
InChIKey
QDZBIUGFNUHGNM-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [528456]
Acetylcholinesterase 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 Irinotecan PathwayWP727:Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer 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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