Drug General Information
Drug ID
D0C3IS
Former ID
DNC014315
Drug Name
3-(2-N-Piperidyl-propionamino)-rutaecarpine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530639]
Formula
C26H27N5O2
Canonical SMILES
C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)N=C4C5=C(CCN4C3=O)C6=CC<br />=CC=C6N5
InChI
1S/C26H27N5O2/c32-23(11-14-30-12-4-1-5-13-30)27-17-8-9-22-20(16-17)26(33)31-15-10-19-18-6-2-3-7-21(18)28-24(19)25(31)29-22/h2-3,6-9,16,28H,1,4-5,10-15H2,(H,27,32)
InChIKey
SJTYFVUMCWQRRK-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [530639]
Acetylcholinesterase 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 Irinotecan PathwayWP727:Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer 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.