Drug General Information
Drug ID
D0H3BC
Former ID
DNC007327
Drug Name
3-[5-(benzylmethylamino)pentyloxy]xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528456]
Structure
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2D MOL

3D MOL

Formula
C26H27NO3
Canonical SMILES
CN(CCCCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4
InChI
1S/C26H27NO3/c1-27(19-20-10-4-2-5-11-20)16-8-3-9-17-29-21-14-15-23-25(18-21)30-24-13-7-6-12-22(24)26(23)28/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3
InChIKey
NDUSIOVFIPORBY-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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