Drug Information

Drug General Information
Drug ID
D07DEY
Former ID
DNC013219
Drug Name
3-(3-benzylamino)-piperidin-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528735]
Structure
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2D MOL

3D MOL
Formula
C13H18N2O
Canonical SMILES
C1CC(C(=O)NC1)CC2=CC(=CC=C2)CN
InChI
1S/C13H18N2O/c14-9-11-4-1-3-10(7-11)8-12-5-2-6-15-13(12)16/h1,3-4,7,12H,2,5-6,8-9,14H2,(H,15,16)
InChIKey
WOUBCSVRQLAOBC-UHFFFAOYSA-N
PubChem Compound ID
16203227
Target and Pathway
Target(s) Muscarinic acetylcholine receptor M5 Target Info Inhibitor [528735]
Muscarinic acetylcholine receptor M4 Target Info Inhibitor [528735]
Muscarinic acetylcholine receptor M3 Target Info Inhibitor [528735]
Muscarinic acetylcholine receptor M2 Target Info Inhibitor [528735]
Muscarinic acetylcholine receptor M1 Target Info Inhibitor [528735]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
Regulation of actin cytoskeletonhsa04080:Neuroactive ligand-receptor interaction
Regulation of actin cytoskeletonhsa04020:Calcium signaling pathway
Regulation of actin cytoskeleton
Insulin secretion
Salivary secretion
Gastric acid secretion
Pancreatic secretionhsa04020:Calcium signaling pathway
cAMP signaling pathway
PI3K-Akt signaling pathway
PANTHER Pathway Alzheimer disease-amyloid secretase pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathwayP00003:Alzheimer disease-amyloid secretase pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathway
PathWhiz Pathway Gastric Acid ProductionPW000564:Muscle/Heart Contraction
Reactome Muscarinic acetylcholine receptors
G alpha (q) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
G alpha (i) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
Acetylcholine regulates insulin secretion
G alpha (q) signalling events
WikiPathways Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signalingWP58:Monoamine GPCRs
Integration of energy metabolism
GPCR downstream signaling
GPCRs, OtherWP706:SIDS Susceptibility Pathways
GPCRs, OtherWP58:Monoamine GPCRs
Secretion of Hydrochloric Acid in Parietal Cells
References
Ref 528735J Med Chem. 2007 Apr 19;50(8):1925-32. Epub 2007 Mar 17.Designing active template molecules by combining computational de novo design and human chemist's expertise.
Ref 528735J Med Chem. 2007 Apr 19;50(8):1925-32. Epub 2007 Mar 17.Designing active template molecules by combining computational de novo design and human chemist's expertise.

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