Drug General Information
Drug ID
D00NIX
Former ID
DNC014369
Drug Name
9-O-[3-(Phenylamino)propyl]-berberine bromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530920]
Formula
C28H27BrN2O4
Canonical SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCCCN<br />C6=CC=CC=C6.[Br-]
InChI
1S/C28H27N2O4.BrH/c1-31-25-9-8-19-14-24-22-16-27-26(33-18-34-27)15-20(22)10-12-30(24)17-23(19)28(25)32-13-5-11-29-21-6-3-2-4-7-21;/h2-4,6-9,14-17,29H,5,10-13,18H2,1H3;1H/q+1;/p-1
InChIKey
AUAWRSCXEKGEKN-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.