Drug General Information
Drug ID
D03DIP
Former ID
DNC014313
Drug Name
3-(2-Diethylamino-propionamino)-rutaecarpine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530639]
Formula
C25H27N5O2
Canonical SMILES
CCN(CC)CCC(=O)NC1=CC2=C(C=C1)N=C3C4=C(CCN3C2=O)C5=CC=CC<br />=C5N4
InChI
1S/C25H27N5O2/c1-3-29(4-2)13-12-22(31)26-16-9-10-21-19(15-16)25(32)30-14-11-18-17-7-5-6-8-20(17)27-23(18)24(30)28-21/h5-10,15,27H,3-4,11-14H2,1-2H3,(H,26,31)
InChIKey
XTKDYIOBJOQMHV-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [530639]
Cholinesterase Target Info Inhibitor [530639]
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 530639Eur J Med Chem. 2010 Apr;45(4):1415-23. Epub 2010 Jan 4.Synthesis and evaluation of novel rutaecarpine derivatives and related alkaloids derivatives as selective acetylcholinesterase inhibitors.
Ref 530639Eur J Med Chem. 2010 Apr;45(4):1415-23. Epub 2010 Jan 4.Synthesis and evaluation of novel rutaecarpine derivatives and related alkaloids derivatives as selective acetylcholinesterase inhibitors.