Drug General Information
Drug ID
D0L9YJ
Former ID
DNC007323
Drug Name
3-[3-(benzylmethylamino)propoxy]xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528456]
Structure
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2D MOL

3D MOL

Formula
C24H23NO3
Canonical SMILES
CN(CCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4
InChI
1S/C24H23NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-23(16-19)28-22-11-6-5-10-20(22)24(21)26/h2-6,8-13,16H,7,14-15,17H2,1H3
InChIKey
OTLLABLRJBVBHD-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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