Drug Information

Drug General Information
Drug ID
D04JAX
Former ID
DNC013818
Drug Name
6-Methyl-4-(4-o-tolylpiperazin-1-yl)coumarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529641]
Structure
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2D MOL

3D MOL
Formula
C21H22N2O2
Canonical SMILES
CC1=CC2=C(C=C1)OC(=O)C=C2N3CCN(CC3)C4=CC=CC=C4C
InChI
1S/C21H22N2O2/c1-15-7-8-20-17(13-15)19(14-21(24)25-20)23-11-9-22(10-12-23)18-6-4-3-5-16(18)2/h3-8,13-14H,9-12H2,1-2H3
InChIKey
WISLSRMHRCKWLA-UHFFFAOYSA-N
PubChem Compound ID
44561860
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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