Drug General Information
Drug ID
D01TLN
Former ID
DNC014186
Drug Name
9-O-[4-(Phenylol-1-yloxy)butyl]berberine bromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530625]
Formula
C29H28BrNO5
Canonical SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCC<br />OC6=CC=CC=C6.[Br-]
InChI
1S/C29H28NO5.BrH/c1-31-26-10-9-20-15-25-23-17-28-27(34-19-35-28)16-21(23)11-12-30(25)18-24(20)29(26)33-14-6-5-13-32-22-7-3-2-4-8-22;/h2-4,7-10,15-18H,5-6,11-14,19H2,1H3;1H/q+1;/p-1
InChIKey
RGAFBRYQCWMODS-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.