Drug General Information
Drug ID
D02QMU
Former ID
DNC014368
Drug Name
9-O-[3-(2-Pyridinoxyl)butyl]-berberine bromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530920]
Structure
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2D MOL

3D MOL

Formula
C28H27BrN2O5
Canonical SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCC<br />OC6=CC=CC=N6.[Br-]
InChI
1S/C28H27N2O5.BrH/c1-31-24-8-7-19-14-23-21-16-26-25(34-18-35-26)15-20(21)9-11-30(23)17-22(19)28(24)33-13-5-4-12-32-27-6-2-3-10-29-27;/h2-3,6-8,10,14-17H,4-5,9,11-13,18H2,1H3;1H/q+1;/p-1
InChIKey
NOZBPUHZHLKIBG-UHFFFAOYSA-M
PubChem Compound ID
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [530920]
Acetylcholinesterase Target Info Inhibitor [530920]
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 530920Bioorg Med Chem. 2010 Jun 15;18(12):4475-84. Epub 2010 Apr 27.Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase.
Ref 530920Bioorg Med Chem. 2010 Jun 15;18(12):4475-84. Epub 2010 Apr 27.Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase.

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