Drug Information

Drug General Information
Drug ID
D0E2LR
Former ID
DNC005254
Drug Name
3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527249]
Structure
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2D MOL

3D MOL
Formula
C21H25N3
Canonical SMILES
C1CN(CCC1CCC2=C3C=CC=CC3=NN2)CC4=CC=CC=C4
InChI
1S/C21H25N3/c1-2-6-18(7-3-1)16-24-14-12-17(13-15-24)10-11-21-19-8-4-5-9-20(19)22-23-21/h1-9,17H,10-16H2,(H,22,23)
InChIKey
NPZKLBFCTYVTBS-UHFFFAOYSA-N
PubChem Compound ID
9996081
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [527249]
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 527249J Med Chem. 2004 Oct 21;47(22):5492-500.A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition.
Ref 527249J Med Chem. 2004 Oct 21;47(22):5492-500.A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition.

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