Drug General Information
Drug ID
D0W7XL
Former ID
DNC014187
Drug Name
9-O-[3-(Phenylol-1-yloxy)propyl]berberine bromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530625]
Formula
C28H26BrNO5
Canonical SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCO<br />C6=CC=CC=C6.[Br-]
InChI
1S/C28H26NO5.BrH/c1-30-25-9-8-19-14-24-22-16-27-26(33-18-34-27)15-20(22)10-11-29(24)17-23(19)28(25)32-13-5-12-31-21-6-3-2-4-7-21;/h2-4,6-9,14-17H,5,10-13,18H2,1H3;1H/q+1;/p-1
InChIKey
NMADBTYRPZHLMW-UHFFFAOYSA-M
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [530625]
Cholinesterase 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 Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer PathwayWP229:Irinotecan 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.