Drug General Information
Drug ID
D01DHW
Former ID
DNC014188
Drug Name
9-O-[2-(Phenylol-1-yloxy)ethyl]berberine bromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530625]
Formula
C27H24BrNO5
Canonical SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCOC<br />6=CC=CC=C6.[Br-]
InChI
1S/C27H24NO5.BrH/c1-29-24-8-7-18-13-23-21-15-26-25(32-17-33-26)14-19(21)9-10-28(23)16-22(18)27(24)31-12-11-30-20-5-3-2-4-6-20;/h2-8,13-16H,9-12,17H2,1H3;1H/q+1;/p-1
InChIKey
PLHXLYBABFQCCA-UHFFFAOYSA-M
PubChem Compound ID
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [530625]
Acetylcholinesterase Target Info Inhibitor [530625]
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 530625Bioorg Med Chem. 2010 Feb;18(3):1244-51. Epub 2009 Dec 16.Synthesis, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors.
Ref 530625Bioorg Med Chem. 2010 Feb;18(3):1244-51. Epub 2009 Dec 16.Synthesis, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors.