Drug Information

Drug General Information
Drug ID
D08WRG
Former ID
DNC013820
Drug Name
3-(4-o-Tolylpiperazine-1-carbonyl)coumarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529641]
Structure
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2D MOL

3D MOL
Formula
C21H20N2O3
Canonical SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O
InChI
1S/C21H20N2O3/c1-15-6-2-4-8-18(15)22-10-12-23(13-11-22)20(24)17-14-16-7-3-5-9-19(16)26-21(17)25/h2-9,14H,10-13H2,1H3
InChIKey
IVCTUFTWYWRJLW-UHFFFAOYSA-N
PubChem Compound ID
9153545
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [529641]
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 pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer Pathway
References
Ref 529641Bioorg Med Chem. 2008 Sep 1;16(17):8011-21. Epub 2008 Jul 29.Design, synthesis, and acetylcholinesterase inhibitory activity of novel coumarin analogues.
Ref 529641Bioorg Med Chem. 2008 Sep 1;16(17):8011-21. Epub 2008 Jul 29.Design, synthesis, and acetylcholinesterase inhibitory activity of novel coumarin analogues.

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