Drug General Information
Drug ID
D0F6VM
Former ID
DNC014314
Drug Name
3-(2-N-Pyrrolyl-propionamino)-rutaecarpine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530639]
Structure
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2D MOL

3D MOL

Formula
C25H25N5O2
Canonical SMILES
C1CCN(C1)CCC(=O)NC2=CC3=C(C=C2)N=C4C5=C(CCN4C3=O)C6=CC=<br />CC=C6N5
InChI
1S/C25H25N5O2/c31-22(10-13-29-11-3-4-12-29)26-16-7-8-21-19(15-16)25(32)30-14-9-18-17-5-1-2-6-20(17)27-23(18)24(30)28-21/h1-2,5-8,15,27H,3-4,9-14H2,(H,26,31)
InChIKey
QEZVUWPDYKSHCV-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.

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