Drug General Information
Drug ID
D09XSI
Former ID
DNC014189
Drug Name
9-O-[5-(Phenylol-1-yloxy)pentyl]berberine bromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530625]
Formula
C30H30BrNO5
Canonical SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCC<br />COC6=CC=CC=C6.[Br-]
InChI
1S/C30H30NO5.BrH/c1-32-27-11-10-21-16-26-24-18-29-28(35-20-36-29)17-22(24)12-13-31(26)19-25(21)30(27)34-15-7-3-6-14-33-23-8-4-2-5-9-23;/h2,4-5,8-11,16-19H,3,6-7,12-15,20H2,1H3;1H/q+1;/p-1
InChIKey
WRLPRBPGJBAWDA-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.